(1S,4R)-1-Methyl-4-(1-methylethenyl)-2-cyclohexen-1-ol

C10H16OCAS 22972-51-6152.24 g/mol

Open in Covalent MOL file
OH
AlcoholAlkene

Properties

Molecular formula
C10H16O
Molar mass
152.24 g/mol
Exact mass
152.1201 Da
Density
0.938 g/mL (at 20 °C)
Melting point
18 °C
Boiling point
69–70 °C (at 3 Torr)
logP
2.28Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1
Stereocentres
R, Sin SMILES atom order

Hazards

Warning
Irritant (GHS07)

Aggregated from 6 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
22972-51-6
SMILES
C=C(C)[C@H]1C=C[C@@](C)(O)CC1
InChIKey
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

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

10 names
  • 2-Cyclohexen-1-ol, 1-methyl-4-(1-methylethenyl)-, (1S,4R)-
  • p-Mentha-2,8-dien-1-ol, stereoisomer
  • 2-Cyclohexen-1-ol, 1-methyl-4-(1-methylethenyl)-, (1S-cis)-
  • cis-Isolimonenol
  • p-Mentha-2,8-dien-1-β-ol
  • (+)-cis-p-Mentha-2,8-dien-1-ol
  • (+)-(1S,4R)-p-Mentha-2,8-dien-1-ol
  • (+)-p-Mentha-2,8-dien-1-ol
  • (1S,4R)-p-Menth-2,8-dien-1-ol
  • (1S,4R)-1-Methyl-4-(prop-1-en-2-yl)cyclohex-2-en-1-ol

Work with (1S,4R)-1-Methyl-4-(1-methylethenyl)-2-cyclohexen-1-ol

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

(-)-Linalool126-91-033 % similar 3,7-Dimethyl-1,6-octadien-3-ol78-70-633 % similar (-)-β-Elemene515-13-932 % similar (1S,2E,4S,6R,7E,11E)-2,7,11-Cembratriene-4,6-diol57605-80-832 % similar Sclareol515-03-731 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

α-Pinene oxide1686-14-2 (-)-Perillyl alcohol18457-55-1 (-)-Myrtenol19894-97-4 (-)-cis-Carveol2102-59-2 (±)-Camphor21368-68-3 2,4-Decadienal2363-88-4 (E,E)-2,4-Decadienal25152-84-5 2-Pentyl-2-cyclopenten-1-one25564-22-1

Elsewhere

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