1-cyclohexyl-3-methylpentane-2,3-diol

C12H24O2 — CID 103448798

IUPAC1-cyclohexyl-3-methylpentane-2,3-diol
SMILESCCC(C)(O)C(O)CC1CCCCC1
InChIInChI=1S/C12H24O2/c1-3-12(2,14)11(13)9-10-7-5-4-6-8-10/h10-11,13-14H,3-9H2,1-2H3
InChIKeyVPZMVPZKXNXOLL-UHFFFAOYSA-N
MW200.32 g/mol
LogP2.48
Rot. Bonds4

About 1-cyclohexyl-3-methylpentane-2,3-diol

1-cyclohexyl-3-methylpentane-2,3-diol (PubChem CID 103448798) has the molecular formula C12H24O2 and a molecular weight of 200.32 g/mol. Its IUPAC name is 1-cyclohexyl-3-methylpentane-2,3-diol.

Molecular Properties

Compound Name1-cyclohexyl-3-methylpentane-2,3-diol
PubChem CID103448798
Molecular FormulaC12H24O2
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Name1-cyclohexyl-3-methylpentane-2,3-diol
SMILESCCC(C)(O)C(O)CC1CCCCC1
InChIInChI=1S/C12H24O2/c1-3-12(2,14)11(13)9-10-7-5-4-6-8-10/h10-11,13-14H,3-9H2,1-2H3
InChIKeyVPZMVPZKXNXOLL-UHFFFAOYSA-N
XLogP2.48
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclohexyl-3-ethylpentane-2,3-diol
CID 103449466
1-cyclohexyl-3,3-difluorobutan-2-ol
CID 131122835
1-cyclobutyl-3,3-dimethylpentan-2-ol
CID 115802513
1-cyclopentyl-3-methoxy-3-methylpentan-2-ol
CID 116751802
1-cyclobutyl-3-methyl-3-piperidin-1-ylpentan-2-ol
CID 79065510
(2R)-1-cyclohexylbutan-2-ol
CID 59949714
3-cyclohexyl-2-methylpropane-1,1-diol
CID 20647941
1-cyclopropyl-3-methyl-3-piperidin-1-ylbutan-2-ol
CID 79044925
1-cycloheptyl-5-methylhexan-2-ol
CID 115783773
3-methoxy-3-methyl-1-(oxan-4-yl)pentan-2-ol
CID 116751875
1-cyclohexyl-3-methoxy-3-methylpentan-2-amine
CID 116757435
1-(2-ethylcyclohexyl)-2-methylbutane-1,2-diol
CID 103448588

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-methylpentane-2,3-diol?
The IUPAC name of 1-cyclohexyl-3-methylpentane-2,3-diol (CID 103448798) is 1-cyclohexyl-3-methylpentane-2,3-diol.
What is the SMILES notation for 1-cyclohexyl-3-methylpentane-2,3-diol?
The canonical SMILES for 1-cyclohexyl-3-methylpentane-2,3-diol is CCC(C)(O)C(O)CC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-methylpentane-2,3-diol?
The InChIKey is VPZMVPZKXNXOLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2/c1-3-12(2,14)11(13)9-10-7-5-4-6-8-10/h10-11,13-14H,3-9H2,1-2H3.
What are the key properties of 1-cyclohexyl-3-methylpentane-2,3-diol?
1-cyclohexyl-3-methylpentane-2,3-diol has a molecular weight of 200.32 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-methylpentane-2,3-diol is sourced from PubChem (CID 103448798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).