(1R,6S)-1-methyl-6-propan-2-ylcyclohex-3-en-1-ol

C10H18O — CID 129013708

IUPAC(1R,6S)-1-methyl-6-propan-2-ylcyclohex-3-en-1-ol
SMILESCC(C)[C@@H]1CC=CC[C@@]1(C)O
InChIInChI=1S/C10H18O/c1-8(2)9-6-4-5-7-10(9,3)11/h4-5,8-9,11H,6-7H2,1-3H3/t9-,10+/m0/s1
InChIKeyBJINLEDJBRBSFK-VHSXEESVSA-N
MW154.25 g/mol
LogP2.36
Rot. Bonds1

About (1R,6S)-1-methyl-6-propan-2-ylcyclohex-3-en-1-ol

(1R,6S)-1-methyl-6-propan-2-ylcyclohex-3-en-1-ol (PubChem CID 129013708) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is (1R,6S)-1-methyl-6-propan-2-ylcyclohex-3-en-1-ol.

Molecular Properties

Compound Name(1R,6S)-1-methyl-6-propan-2-ylcyclohex-3-en-1-ol
PubChem CID129013708
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name(1R,6S)-1-methyl-6-propan-2-ylcyclohex-3-en-1-ol
SMILESCC(C)[C@@H]1CC=CC[C@@]1(C)O
InChIInChI=1S/C10H18O/c1-8(2)9-6-4-5-7-10(9,3)11/h4-5,8-9,11H,6-7H2,1-3H3/t9-,10+/m0/s1
InChIKeyBJINLEDJBRBSFK-VHSXEESVSA-N
XLogP2.36
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.36
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

cis-(1R,2R)-1-methyl-2-propan-2-ylcyclopentan-1-ol
CID 158874958
1-methyl-6-propan-2-ylcyclohex-2-en-1-ol
CID 141289275
(2R)-1,2-dimethylcyclohex-4-ene-1,2-diol
CID 15499572
(1R,2S)-1-methyl-4-propan-2-ylcyclohex-4-ene-1,2-diol
CID 101145214
1-cyclopent-3-en-1-ylcyclopent-3-en-1-ol
CID 72735362
1-hydroxy-2-propan-2-ylcyclopropane-1-carboxylic acid
CID 20515751
1-tert-butyl-1-methyl-2,4-di(propan-2-yl)cyclobutane
CID 91279351
(5S)-4,4,5-trimethylcyclohexene
CID 123287242
(1R,2R)-2-propan-2-ylcyclopent-3-en-1-ol
CID 58878675
1-ethenyl-1-methyl-2-propan-2-yl-4-prop-1-en-2-ylcyclohexane
CID 100977936
(S)-[(1S,6R)-1-(hydroxymethyl)-6-methylcyclohex-3-en-1-yl]-[(1S,6R)-6-methylcyclohex-3-en-1-yl]methanol
CID 124819183
(S)-[(1R,6R)-1-(hydroxymethyl)-6-methylcyclohex-3-en-1-yl]-[(1S,6R)-6-methylcyclohex-3-en-1-yl]methanol
CID 124819181

Frequently Asked Questions

What is the IUPAC name of (1R,6S)-1-methyl-6-propan-2-ylcyclohex-3-en-1-ol?
The IUPAC name of (1R,6S)-1-methyl-6-propan-2-ylcyclohex-3-en-1-ol (CID 129013708) is (1R,6S)-1-methyl-6-propan-2-ylcyclohex-3-en-1-ol.
What is the SMILES notation for (1R,6S)-1-methyl-6-propan-2-ylcyclohex-3-en-1-ol?
The canonical SMILES for (1R,6S)-1-methyl-6-propan-2-ylcyclohex-3-en-1-ol is CC(C)[C@@H]1CC=CC[C@@]1(C)O.
What is the InChIKey of (1R,6S)-1-methyl-6-propan-2-ylcyclohex-3-en-1-ol?
The InChIKey is BJINLEDJBRBSFK-VHSXEESVSA-N. The full InChI is InChI=1S/C10H18O/c1-8(2)9-6-4-5-7-10(9,3)11/h4-5,8-9,11H,6-7H2,1-3H3/t9-,10+/m0/s1.
What are the key properties of (1R,6S)-1-methyl-6-propan-2-ylcyclohex-3-en-1-ol?
(1R,6S)-1-methyl-6-propan-2-ylcyclohex-3-en-1-ol has a molecular weight of 154.25 g/mol, XLogP of 2.36, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,6S)-1-methyl-6-propan-2-ylcyclohex-3-en-1-ol is sourced from PubChem (CID 129013708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).