4-methyl-2-(3-methylbut-3-enyl)cyclohexan-1-ol

C12H22O — CID 114476472

IUPAC4-methyl-2-(3-methylbut-3-enyl)cyclohexan-1-ol
SMILESC=C(C)CCC1CC(C)CCC1O
InChIInChI=1S/C12H22O/c1-9(2)4-6-11-8-10(3)5-7-12(11)13/h10-13H,1,4-8H2,2-3H3
InChIKeySSDBERKXIHKDQL-UHFFFAOYSA-N
MW182.31 g/mol
LogP3.14
Rot. Bonds3

About 4-methyl-2-(3-methylbut-3-enyl)cyclohexan-1-ol

4-methyl-2-(3-methylbut-3-enyl)cyclohexan-1-ol (PubChem CID 114476472) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is 4-methyl-2-(3-methylbut-3-enyl)cyclohexan-1-ol.

Molecular Properties

Compound Name4-methyl-2-(3-methylbut-3-enyl)cyclohexan-1-ol
PubChem CID114476472
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name4-methyl-2-(3-methylbut-3-enyl)cyclohexan-1-ol
SMILESC=C(C)CCC1CC(C)CCC1O
InChIInChI=1S/C12H22O/c1-9(2)4-6-11-8-10(3)5-7-12(11)13/h10-13H,1,4-8H2,2-3H3
InChIKeySSDBERKXIHKDQL-UHFFFAOYSA-N
XLogP3.14
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 53.14
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

N-[[4-methyl-2-(3-methylbut-3-enyl)cyclohexyl]methyl]cyclopropanamine
CID 114477751
1,5-dimethyl-2-(3-methylbut-3-enyl)-4-propylcyclohexane
CID 123584713
2-(2,2-dimethylpropyl)-4-methylcyclohexan-1-ol
CID 58331735
2-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-4-methylcyclohexan-1-ol
CID 104565818
N,3-dimethylbut-3-en-1-amine;1-methyl-3-(3-methylbut-3-enyl)cyclopentane
CID 143332988
(1S,2R,5S)-5-methyl-2-propylcyclohexan-1-ol
CID 11899231
4-methyl-2-(2,2,2-trifluoroethyl)cyclohexan-1-ol
CID 79423179
1-chloro-2-methyl-3-(3-methylbut-3-enyl)cyclopentane
CID 114477384
trans-(2R,5S)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol
CID 130904144
cis-(1R,2R)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol;cis-(1S,5R)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol;cis-(2R,5R)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol;(1R,2R,5R)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol;(1R)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol;(2R)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol;5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol;trans-(1R,5R)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol
CID 161332933
trans-(1S,5S)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol
CID 10909792
3-methyl-N-(3-methylbut-3-enyl)cyclopentan-1-amine
CID 114545737

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(3-methylbut-3-enyl)cyclohexan-1-ol?
The IUPAC name of 4-methyl-2-(3-methylbut-3-enyl)cyclohexan-1-ol (CID 114476472) is 4-methyl-2-(3-methylbut-3-enyl)cyclohexan-1-ol.
What is the SMILES notation for 4-methyl-2-(3-methylbut-3-enyl)cyclohexan-1-ol?
The canonical SMILES for 4-methyl-2-(3-methylbut-3-enyl)cyclohexan-1-ol is C=C(C)CCC1CC(C)CCC1O.
What is the InChIKey of 4-methyl-2-(3-methylbut-3-enyl)cyclohexan-1-ol?
The InChIKey is SSDBERKXIHKDQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O/c1-9(2)4-6-11-8-10(3)5-7-12(11)13/h10-13H,1,4-8H2,2-3H3.
What are the key properties of 4-methyl-2-(3-methylbut-3-enyl)cyclohexan-1-ol?
4-methyl-2-(3-methylbut-3-enyl)cyclohexan-1-ol has a molecular weight of 182.31 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(3-methylbut-3-enyl)cyclohexan-1-ol is sourced from PubChem (CID 114476472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).