2-[(4-methylcyclohexyl)methylidene]butan-1-ol

C12H22O — CID 115278000

IUPAC2-[(4-methylcyclohexyl)methylidene]butan-1-ol
SMILESCCC(=CC1CCC(C)CC1)CO
InChIInChI=1S/C12H22O/c1-3-11(9-13)8-12-6-4-10(2)5-7-12/h8,10,12-13H,3-7,9H2,1-2H3
InChIKeyMKOAFCXDXNZEPI-UHFFFAOYSA-N
MW182.31 g/mol
LogP3.14
Rot. Bonds3

About 2-[(4-methylcyclohexyl)methylidene]butan-1-ol

2-[(4-methylcyclohexyl)methylidene]butan-1-ol (PubChem CID 115278000) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is 2-[(4-methylcyclohexyl)methylidene]butan-1-ol.

Molecular Properties

Compound Name2-[(4-methylcyclohexyl)methylidene]butan-1-ol
PubChem CID115278000
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name2-[(4-methylcyclohexyl)methylidene]butan-1-ol
SMILESCCC(=CC1CCC(C)CC1)CO
InChIInChI=1S/C12H22O/c1-3-11(9-13)8-12-6-4-10(2)5-7-12/h8,10,12-13H,3-7,9H2,1-2H3
InChIKeyMKOAFCXDXNZEPI-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

(2E)-2-(cyclobutylmethylidene)butan-1-ol
CID 131578216
2-(cycloheptylmethylidene)butan-1-ol
CID 79335200
N-[2-[(4-methylcyclohexyl)methylidene]butyl]cyclopropanamine
CID 115278098
(2E)-2-[(4-methylcyclohexyl)methylidene]-N-propan-2-ylbutan-1-amine
CID 79328767
2-(cyclopropylmethylidene)-N-ethylbutan-1-amine
CID 79329303
4-(2-ethylbut-1-enyl)cyclohexane-1-carbonitrile
CID 166943874
N-tert-butyl-2-(cyclopropylmethylidene)butan-1-amine
CID 79330249
4-(2-ethylbut-1-enyl)cyclohexan-1-one
CID 69279249
1-(2,2-difluoroethenyl)-4-[(4-methylcyclohexyl)methyl]cyclohexane
CID 138493538
butane;methylcyclopentane
CID 142053859
1-[(E)-but-1-enyl]-4-methylcyclohexane
CID 21137229
bis(1,4-dimethylcyclohexane);methane;propane
CID 159253657

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylcyclohexyl)methylidene]butan-1-ol?
The IUPAC name of 2-[(4-methylcyclohexyl)methylidene]butan-1-ol (CID 115278000) is 2-[(4-methylcyclohexyl)methylidene]butan-1-ol.
What is the SMILES notation for 2-[(4-methylcyclohexyl)methylidene]butan-1-ol?
The canonical SMILES for 2-[(4-methylcyclohexyl)methylidene]butan-1-ol is CCC(=CC1CCC(C)CC1)CO.
What is the InChIKey of 2-[(4-methylcyclohexyl)methylidene]butan-1-ol?
The InChIKey is MKOAFCXDXNZEPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O/c1-3-11(9-13)8-12-6-4-10(2)5-7-12/h8,10,12-13H,3-7,9H2,1-2H3.
What are the key properties of 2-[(4-methylcyclohexyl)methylidene]butan-1-ol?
2-[(4-methylcyclohexyl)methylidene]butan-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 2-[(4-methylcyclohexyl)methylidene]butan-1-ol is sourced from PubChem (CID 115278000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).