1,5-dimethyl-2-propan-2-ylidenecyclohexan-1-ol

C11H20O — CID 14006496

IUPAC1,5-dimethyl-2-propan-2-ylidenecyclohexan-1-ol
SMILESCC(C)=C1CCC(C)CC1(C)O
InChIInChI=1S/C11H20O/c1-8(2)10-6-5-9(3)7-11(10,4)12/h9,12H,5-7H2,1-4H3
InChIKeyOMEGCLXAOPSSHP-UHFFFAOYSA-N
MW168.28 g/mol
LogP2.89
Rot. Bonds

About 1,5-dimethyl-2-propan-2-ylidenecyclohexan-1-ol

1,5-dimethyl-2-propan-2-ylidenecyclohexan-1-ol (PubChem CID 14006496) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is 1,5-dimethyl-2-propan-2-ylidenecyclohexan-1-ol.

Molecular Properties

Compound Name1,5-dimethyl-2-propan-2-ylidenecyclohexan-1-ol
PubChem CID14006496
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name1,5-dimethyl-2-propan-2-ylidenecyclohexan-1-ol
SMILESCC(C)=C1CCC(C)CC1(C)O
InChIInChI=1S/C11H20O/c1-8(2)10-6-5-9(3)7-11(10,4)12/h9,12H,5-7H2,1-4H3
InChIKeyOMEGCLXAOPSSHP-UHFFFAOYSA-N
XLogP2.89
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 52.89
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

Pulegol
CID 92793
Trans-pulegol
CID 12314755
cis-Pulegol
CID 10080594
Pulegol, (1S,5S)-
CID 12097229
(+)-trans-Pulegol
CID 439732
(5R)-5-methyl-2-propan-2-ylidenecyclohexan-1-ol
CID 45358804
Trimethyl-cyclohex-2-en-1-ol
CID 67290255
3-Butan-2-yl-2-butyl-1-methylcyclopent-2-en-1-ol
CID 10488678
Octahydromethylvinylnaphthol
CID 129813998
(1R,4S)-2,3,4-trimethyl-1-prop-1-en-2-ylcyclohex-2-en-1-ol
CID 134833554
2-[(5R)-1-hydroxy-5-methyl-2-propan-2-ylidenecyclohexyl]acetonitrile
CID 135078623
1-(2-Methylprop-1-enyl)-3-(trifluoromethyl)cyclohexan-1-ol
CID 79190353

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-2-propan-2-ylidenecyclohexan-1-ol?
The IUPAC name of 1,5-dimethyl-2-propan-2-ylidenecyclohexan-1-ol (CID 14006496) is 1,5-dimethyl-2-propan-2-ylidenecyclohexan-1-ol.
What is the SMILES notation for 1,5-dimethyl-2-propan-2-ylidenecyclohexan-1-ol?
The canonical SMILES for 1,5-dimethyl-2-propan-2-ylidenecyclohexan-1-ol is CC(C)=C1CCC(C)CC1(C)O.
What is the InChIKey of 1,5-dimethyl-2-propan-2-ylidenecyclohexan-1-ol?
The InChIKey is OMEGCLXAOPSSHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O/c1-8(2)10-6-5-9(3)7-11(10,4)12/h9,12H,5-7H2,1-4H3.
What are the key properties of 1,5-dimethyl-2-propan-2-ylidenecyclohexan-1-ol?
1,5-dimethyl-2-propan-2-ylidenecyclohexan-1-ol has a molecular weight of 168.28 g/mol, XLogP of 2.89, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-2-propan-2-ylidenecyclohexan-1-ol is sourced from PubChem (CID 14006496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).