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

C12H22O — CID 165491600

IUPAC4-methyl-1-(2-methylbutyl)cyclohex-2-en-1-ol
SMILESCCC(C)CC1(O)C=CC(C)CC1
InChIInChI=1S/C12H22O/c1-4-10(2)9-12(13)7-5-11(3)6-8-12/h5,7,10-11,13H,4,6,8-9H2,1-3H3
InChIKeyUEEYGSAEWMXMRD-UHFFFAOYSA-N
MW182.31 g/mol
LogP3.14
Rot. Bonds3

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

4-methyl-1-(2-methylbutyl)cyclohex-2-en-1-ol (PubChem CID 165491600) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is 4-methyl-1-(2-methylbutyl)cyclohex-2-en-1-ol.

Molecular Properties

Compound Name4-methyl-1-(2-methylbutyl)cyclohex-2-en-1-ol
PubChem CID165491600
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name4-methyl-1-(2-methylbutyl)cyclohex-2-en-1-ol
SMILESCCC(C)CC1(O)C=CC(C)CC1
InChIInChI=1S/C12H22O/c1-4-10(2)9-12(13)7-5-11(3)6-8-12/h5,7,10-11,13H,4,6,8-9H2,1-3H3
InChIKeyUEEYGSAEWMXMRD-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

2-methyl-1-(2-methylbutyl)cyclopropan-1-ol
CID 114876636
(4S)-1,4-dimethylcyclohex-2-en-1-ol
CID 89083200
4-ethyl-1-(2-methylbutyl)cyclohexan-1-ol
CID 65147481
3-methyl-1-(2-methylbutyl)cyclopentan-1-amine
CID 64515762
1,2,2,6-tetramethyl-6-(2-methylbutyl)bicyclo[3.1.0]hexane
CID 123330319
1-(2-methylbutyl)-2-phenylcyclohexan-1-ol
CID 65147898
1,3-diethyl-1-(2-methylbutyl)cyclopentane
CID 123267879
1-cyclobutyl-4-methylcyclohex-2-en-1-ol
CID 165497778
1-cyclohexyl-4-methylcyclohex-2-en-1-ol
CID 165497306
3-methyl-3-(2-methylbutyl)cyclopentan-1-amine
CID 116538708
1,2,3-trimethyl-1-(2-methylbutyl)cyclobutane
CID 123778279
5,9,10-trimethyl-11-(2-methylbutyl)-2-azabicyclo[9.4.1]hexadecane
CID 166865899

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(2-methylbutyl)cyclohex-2-en-1-ol?
The IUPAC name of 4-methyl-1-(2-methylbutyl)cyclohex-2-en-1-ol (CID 165491600) is 4-methyl-1-(2-methylbutyl)cyclohex-2-en-1-ol.
What is the SMILES notation for 4-methyl-1-(2-methylbutyl)cyclohex-2-en-1-ol?
The canonical SMILES for 4-methyl-1-(2-methylbutyl)cyclohex-2-en-1-ol is CCC(C)CC1(O)C=CC(C)CC1.
What is the InChIKey of 4-methyl-1-(2-methylbutyl)cyclohex-2-en-1-ol?
The InChIKey is UEEYGSAEWMXMRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O/c1-4-10(2)9-12(13)7-5-11(3)6-8-12/h5,7,10-11,13H,4,6,8-9H2,1-3H3.
What are the key properties of 4-methyl-1-(2-methylbutyl)cyclohex-2-en-1-ol?
4-methyl-1-(2-methylbutyl)cyclohex-2-en-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-1-(2-methylbutyl)cyclohex-2-en-1-ol is sourced from PubChem (CID 165491600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).