1-methyl-4-(2-methylcyclopropyl)cyclohex-2-en-1-ol

C11H18O — CID 123761074

IUPAC1-methyl-4-(2-methylcyclopropyl)cyclohex-2-en-1-ol
SMILESCC1CC1C1C=CC(C)(O)CC1
InChIInChI=1S/C11H18O/c1-8-7-10(8)9-3-5-11(2,12)6-4-9/h3,5,8-10,12H,4,6-7H2,1-2H3
InChIKeyLTXMSMPVSKUZAU-UHFFFAOYSA-N
MW166.26 g/mol
LogP2.36
Rot. Bonds1

About 1-methyl-4-(2-methylcyclopropyl)cyclohex-2-en-1-ol

1-methyl-4-(2-methylcyclopropyl)cyclohex-2-en-1-ol (PubChem CID 123761074) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is 1-methyl-4-(2-methylcyclopropyl)cyclohex-2-en-1-ol.

Molecular Properties

Compound Name1-methyl-4-(2-methylcyclopropyl)cyclohex-2-en-1-ol
PubChem CID123761074
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name1-methyl-4-(2-methylcyclopropyl)cyclohex-2-en-1-ol
SMILESCC1CC1C1C=CC(C)(O)CC1
InChIInChI=1S/C11H18O/c1-8-7-10(8)9-3-5-11(2,12)6-4-9/h3,5,8-10,12H,4,6-7H2,1-2H3
InChIKeyLTXMSMPVSKUZAU-UHFFFAOYSA-N
XLogP2.36
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
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

(4S)-1,4-dimethylcyclohex-2-en-1-ol
CID 89083200
(1S,4S)-1-methyl-4-prop-1-en-2-ylcyclohex-2-en-1-ol
CID 12618691
argon;(1S,4R)-1-methyl-4-prop-1-en-2-ylcyclohex-2-en-1-ol
CID 159755681
(3S,3aR,7aR)-3,5,5-trimethyl-1,2,3,3a,4,7a-hexahydroindene
CID 10374770
[(1R,4S)-4-hydroxy-4-methylcyclohex-2-en-1-yl] acetate
CID 10559066
CID 156648702
CID 156648702
(1S,2E,4S,7E)-1,7-dimethyl-4-propan-2-ylcyclodeca-2,7-dien-1-ol
CID 11148775
1,7-dimethyl-4-propan-2-ylcyclodeca-2,7-dien-1-ol
CID 522445
(1S,2E,4R,7E)-1,7-dimethyl-4-propan-2-ylcyclodeca-2,7-dien-1-ol
CID 162957245
(3S,6S)-6-[(4S)-4-hydroxy-4-methylcyclohex-2-en-1-yl]-2,2,6-trimethyloxan-3-ol
CID 102228759
(1R,3R,6S)-3,6-dimethylcyclohex-4-ene-1,3-diol
CID 14661581
(1S,2E,4S,7E,11E)-1,7,11-trimethyl-4-propan-2-ylcyclotetradeca-2,7,11-trien-1-ol;(1R,2E,4S,7E,11E)-1,7,11-trimethyl-4-propan-2-ylcyclotetradeca-2,7,11-trien-1-ol
CID 163472628

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(2-methylcyclopropyl)cyclohex-2-en-1-ol?
The IUPAC name of 1-methyl-4-(2-methylcyclopropyl)cyclohex-2-en-1-ol (CID 123761074) is 1-methyl-4-(2-methylcyclopropyl)cyclohex-2-en-1-ol.
What is the SMILES notation for 1-methyl-4-(2-methylcyclopropyl)cyclohex-2-en-1-ol?
The canonical SMILES for 1-methyl-4-(2-methylcyclopropyl)cyclohex-2-en-1-ol is CC1CC1C1C=CC(C)(O)CC1.
What is the InChIKey of 1-methyl-4-(2-methylcyclopropyl)cyclohex-2-en-1-ol?
The InChIKey is LTXMSMPVSKUZAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O/c1-8-7-10(8)9-3-5-11(2,12)6-4-9/h3,5,8-10,12H,4,6-7H2,1-2H3.
What are the key properties of 1-methyl-4-(2-methylcyclopropyl)cyclohex-2-en-1-ol?
1-methyl-4-(2-methylcyclopropyl)cyclohex-2-en-1-ol has a molecular weight of 166.26 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 1-methyl-4-(2-methylcyclopropyl)cyclohex-2-en-1-ol is sourced from PubChem (CID 123761074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).