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Molecule
(1S,4R)-1-Methyl-4-(1-Methylethenyl)-2-Cyclohexen-1-Ol
CAS: 22972-51-6 · C10H16O
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 22972-51-6
- Molecular Formula
- C10H16O
- Molecular Mass
- 152.24 g/mol
Identifiers
CAS Registry Number
22972-51-6
SMILES
C=C(C)[C@H]1C=C[C@@](C)(O)CC1
InChI Key
MKPMHJQMNACGDI-VHSXEESVSA-N
InChI
InChI=1S/C10H16O/c1-8(2)9-4-6-10(3,11)7-5-9/h4,6,9,11H,1,5,7H2,2-3H3/t9-,10+/m0/s1
Names and Synonyms
- (1S,4R)-1-Methyl-4-(1-Methylethenyl)-2-Cyclohexen-1-Ol Systematic Name
- 2-Cyclohexen-1-ol, 1-methyl-4-(1-methylethenyl)-, (1S,4R)- Synonym
- p-Mentha-2,8-dien-1-ol, stereoisomer Synonym
- 2-Cyclohexen-1-ol, 1-methyl-4-(1-methylethenyl)-, (1S-cis)- Synonym
- (1S,4R)-1-Methyl-4-(1-methylethenyl)-2-cyclohexen-1-ol Synonym
- cis-Isolimonenol Synonym
- p-Mentha-2,8-dien-1-β-ol Synonym
- (+)-cis-p-Mentha-2,8-dien-1-ol Synonym
- (+)-(1S,4R)-p-Mentha-2,8-dien-1-ol Synonym
- (+)-p-Mentha-2,8-dien-1-ol Synonym
- (1S,4R)-p-Menth-2,8-dien-1-ol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 152.24 g/mol | CAS Common Chemistry |
| 152.23699999999994 g/mol | RDKit | |
| 152.237 g/mol | RDKit | |
| Density | 0.94 g/cm³ | CAS Common Chemistry |
| 0.9380 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Canonical SMILES | OC1(C=CC(C(=C)C)CC1)C | CAS Common Chemistry |
| InChI | InChI=1S/C10H16O/c1-8(2)9-4-6-10(3,11)7-5-9/h4,6,9,11H,1,5,7H2,2-3H3/t9-,10+/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=MKPMHJQMNACGDI-VHSXEESVSA-N | CAS Common Chemistry |
| Name | (1S,4R)-1-Methyl-4-(1-methylethenyl)-2-cyclohexen-1-ol | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 20.23 Ų | RDKit |
| LogP | 2.2797 | RDKit |
| Molar Refractivity | 47.30180000000003 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.6 | RDKit |
| Exact Mass | 152.120115132 g/mol | RDKit |
| Boiling Point | 69-70 °C @ 3 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
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100
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40
20
0 ppm
| 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 = 152.24 g/mol; density = 0.940 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C10H16O.
