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Molecule
Longifolene
CAS: 475-20-7 · C15H24
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 475-20-7
- Molecular Formula
- C15H24
- Molecular Mass
- 204.36 g/mol
Identifiers
CAS Registry Number
475-20-7
SMILES
C=C1[C@H]2CC[C@@H]3[C@H]2C(C)(C)CCC[C@]13C
InChI Key
PDSNLYSELAIEBU-GUIRCDHDSA-N
InChI
InChI=1S/C15H24/c1-10-11-6-7-12-13(11)14(2,3)8-5-9-15(10,12)4/h11-13H,1,5-9H2,2-4H3/t11-,12-,13+,15-/m1/s1
Names and Synonyms
- Longifolene Synonym
- 1,4-Methanoazulene, decahydro-4,8,8-trimethyl-9-methylene-, (1S,3aR,4S,8aS)- Synonym
- 1,4-Methanoazulene, decahydro-4,8,8-trimethyl-9-methylene-, (1S,3aR,4S,8aS)-(+)- Synonym
- 1,4-Methanoazulene, decahydro-4,8,8-trimethyl-9-methylene-, [1S-(1α,3aβ,4α,8aβ)]- Synonym
- Longifolene Synonym
- (1S,3aR,4S,8aS)-Decahydro-4,8,8-trimethyl-9-methylene-1,4-methanoazulene Synonym
- Junipene Synonym
- (+)-Longifolene Synonym
- d-Longifolene Synonym
- Kuromatsuene Synonym
- Kuromatsuen Synonym
- Longifolen Synonym
- Junipen Synonym
- α-Longifolene Synonym
- NSC 150808 Synonym
- [1S-(1α,3aβ,4α,8aβ)]Decahydro-4,8,8-trimethyl-9-methylene-1,4-methanoazulene Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 204.36 g/mol | CAS Common Chemistry |
| 204.35699999999994 g/mol | RDKit | |
| 204.357 g/mol | RDKit | |
| Density | 0.93 g/cm³ | CAS Common Chemistry |
| 0.9284 g/cm3 @ 30 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Longifolene | CAS Common Chemistry |
| Boiling Point | 258 °C | CAS Common Chemistry |
| Canonical SMILES | C=C1C2CCC3C2C(C)(C)CCCC13C | CAS Common Chemistry |
| InChI | InChI=1S/C15H24/c1-10-11-6-7-12-13(11)14(2,3)8-5-9-15(10,12)4/h11-13H,1,5-9H2,2-4H3/t11-,12-,13+,15-/m1/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=PDSNLYSELAIEBU-GUIRCDHDSA-N | CAS Common Chemistry |
| Name | (+)-Longifolene | CAS Common Chemistry |
| Longifolene | CAS Common Chemistry | |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 4.415000000000004 | RDKit |
| 4.415 | RDKit | |
| Molar Refractivity | 64.58300000000004 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.8667 | RDKit |
| 0.87 | chempirical lib | |
| Exact Mass | 204.187800768 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
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3
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 204.36 g/mol; density = 0.930 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C15H24.
