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Molecule
Menaquinone 7
CAS: 2124-57-4 · C46H64O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 2124-57-4
- Molecular Formula
- C46H64O2
- Molecular Mass
- 649.02 g/mol
Identifiers
CAS Registry Number
2124-57-4
SMILES
CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC1=C(C)C(=O)c2ccccc2C1=O
InChI Key
RAKQPZMEYJZGPI-LJWNYQGCSA-N
InChI
InChI=1S/C46H64O2/c1-34(2)18-12-19-35(3)20-13-21-36(4)22-14-23-37(5)24-15-25-38(6)26-16-27-39(7)28-17-29-40(8)32-33-42-41(9)45(47)43-30-10-11-31-44(43)46(42)48/h10-11,18,20,22,24,26,28,30-32H,12-17,19,21,23,25,27,29,33H2,1-9H3/b35-20+,36-22+,37-24+,38-26+,39-28+,40-32+
Names and Synonyms
- Menaquinone 7 Synonym
- 1,4-Naphthalenedione, 2-[(2E,6E,10E,14E,18E,22E)-3,7,11,15,19,23,27-heptamethyl-2,6,10,14,18,22,26-octacosaheptaen-1-yl]-3-methyl- Synonym
- 1,4-Naphthoquinone, 2-(3,7,11,15,19,23,27-heptamethyl-2,6,10,14,18,22,26-octacosaheptaenyl)-3-methyl-, (all-E)- Synonym
- 1,4-Naphthalenedione, 2-(3,7,11,15,19,23,27-heptamethyl-2,6,10,14,18,22,26-octacosaheptaenyl)-3-methyl-, (all-E)- Synonym
- 1,4-Naphthalenedione, 2-[(2E,6E,10E,14E,18E,22E)-3,7,11,15,19,23,27-heptamethyl-2,6,10,14,18,22,26-octacosaheptaenyl]-3-methyl- Synonym
- 2-[(2E,6E,10E,14E,18E,22E)-3,7,11,15,19,23,27-Heptamethyl-2,6,10,14,18,22,26-octacosaheptaen-1-yl]-3-methyl-1,4-naphthalenedione Synonym
- Vitamin K2(35) Synonym
- Menaquinone K7 Synonym
- Menaquinone 7 Synonym
- MK-7 Synonym
- Vitamin MK 7 Synonym
- K 2 Oil M 1500 Synonym
- Vitamin K2-7 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 649.02 g/mol | CAS Common Chemistry |
| 649.0160000000004 g/mol | RDKit | |
| 649.016 g/mol | RDKit | |
| Canonical SMILES | O=C1C=2C=CC=CC2C(=O)C(=C1C)CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C46H64O2/c1-34(2)18-12-19-35(3)20-13-21-36(4)22-14-23-37(5)24-15-25-38(6)26-16-27-39(7)28-17-29-40(8)32-33-42-41(9)45(47)43-30-10-11-31-44(43)46(42)48/h10-11,18,20,22,24,26,28,30-32H,12-17,19,21,23,25,27,29,33H2,1-9H3/b35-20+,36-22+,37-24+,38-26+,39-28+,40-32+ | CAS Common Chemistry |
| InChI Key | InChIKey=RAKQPZMEYJZGPI-LJWNYQGCSA-N | CAS Common Chemistry |
| Melting Point | 54 °C | CAS Common Chemistry |
| Name | Menaquinone 7 | CAS Common Chemistry |
| Heavy Atom Count | 48 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 20 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 34.14 Ų | RDKit |
| LogP | 14.097399999999968 | RDKit |
| 14.0974 | RDKit | |
| Molar Refractivity | 209.79699999999923 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.4783 | RDKit |
| 0.48 | chempirical lib | |
| Exact Mass | 648.4906312879999 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 649.02 g/mol. Edit any field — others recompute live.
