(1R,5S)-3-ethenyl-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ol

C12H18O — CID 131039437

IUPAC(1R,5S)-3-ethenyl-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ol
SMILESC=CC1=C(C)[C@H](O)C[C@@H](C(=C)C)C1
InChIInChI=1S/C12H18O/c1-5-10-6-11(8(2)3)7-12(13)9(10)4/h5,11-13H,1-2,6-7H2,3-4H3/t11-,12+/m0/s1
InChIKeySCOBLLVXAFRHMX-NWDGAFQWSA-N
MW178.27 g/mol
LogP2.84
Rot. Bonds2

About (1R,5S)-3-ethenyl-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ol

(1R,5S)-3-ethenyl-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ol (PubChem CID 131039437) has the molecular formula C12H18O and a molecular weight of 178.27 g/mol. Its IUPAC name is (1R,5S)-3-ethenyl-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ol.

Molecular Properties

Compound Name(1R,5S)-3-ethenyl-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ol
PubChem CID131039437
Molecular FormulaC12H18O
Molecular Weight178.27 g/mol
Exact Mass178.14
IUPAC Name(1R,5S)-3-ethenyl-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ol
SMILESC=CC1=C(C)[C@H](O)C[C@@H](C(=C)C)C1
InChIInChI=1S/C12H18O/c1-5-10-6-11(8(2)3)7-12(13)9(10)4/h5,11-13H,1-2,6-7H2,3-4H3/t11-,12+/m0/s1
InChIKeySCOBLLVXAFRHMX-NWDGAFQWSA-N
XLogP2.84
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.27
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Perillyl Alcohol
CID 10819
Carveol
CID 7438
Perilla alcohol
CID 369312
Carveol, trans-(-)-
CID 94221
Carveol, cis-(-)-
CID 330573
Menthadienol
CID 527143
beta-Ionol, (E)-
CID 5373729
(+)-Perillyl alcohol
CID 11788398
p-Menth-1-en-3-ol
CID 10282
(+)-cis-Carveol
CID 443177
3-Methyl-6-(1-methylethenyl)-2-cyclohexen-1-ol
CID 527822
cis-Piperitol
CID 85567

Frequently Asked Questions

What is the IUPAC name of (1R,5S)-3-ethenyl-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ol?
The IUPAC name of (1R,5S)-3-ethenyl-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ol (CID 131039437) is (1R,5S)-3-ethenyl-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ol.
What is the SMILES notation for (1R,5S)-3-ethenyl-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ol?
The canonical SMILES for (1R,5S)-3-ethenyl-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ol is C=CC1=C(C)[C@H](O)C[C@@H](C(=C)C)C1.
What is the InChIKey of (1R,5S)-3-ethenyl-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ol?
The InChIKey is SCOBLLVXAFRHMX-NWDGAFQWSA-N. The full InChI is InChI=1S/C12H18O/c1-5-10-6-11(8(2)3)7-12(13)9(10)4/h5,11-13H,1-2,6-7H2,3-4H3/t11-,12+/m0/s1.
What are the key properties of (1R,5S)-3-ethenyl-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ol?
(1R,5S)-3-ethenyl-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ol has a molecular weight of 178.27 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-3-ethenyl-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ol is sourced from PubChem (CID 131039437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).