3-(4-methylcyclohexyl)pentan-2-ol

C12H24O — CID 79422150

IUPAC3-(4-methylcyclohexyl)pentan-2-ol
SMILESCCC(C(C)O)C1CCC(C)CC1
InChIInChI=1S/C12H24O/c1-4-12(10(3)13)11-7-5-9(2)6-8-11/h9-13H,4-8H2,1-3H3
InChIKeyHHKCFLCQBXUPNR-UHFFFAOYSA-N
MW184.32 g/mol
LogP3.22
Rot. Bonds3

About 3-(4-methylcyclohexyl)pentan-2-ol

3-(4-methylcyclohexyl)pentan-2-ol (PubChem CID 79422150) has the molecular formula C12H24O and a molecular weight of 184.32 g/mol. Its IUPAC name is 3-(4-methylcyclohexyl)pentan-2-ol.

Molecular Properties

Compound Name3-(4-methylcyclohexyl)pentan-2-ol
PubChem CID79422150
Molecular FormulaC12H24O
Molecular Weight184.32 g/mol
Exact Mass184.18
IUPAC Name3-(4-methylcyclohexyl)pentan-2-ol
SMILESCCC(C(C)O)C1CCC(C)CC1
InChIInChI=1S/C12H24O/c1-4-12(10(3)13)11-7-5-9(2)6-8-11/h9-13H,4-8H2,1-3H3
InChIKeyHHKCFLCQBXUPNR-UHFFFAOYSA-N
XLogP3.22
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.32
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-butan-2-yl-4-methylcyclohexane
CID 20676481
1-methyl-4-[1-(4-methylcyclohexyl)propyl]cyclohexane
CID 142348869
3-(oxan-3-yl)pentan-2-ol
CID 107137335
1-(3-methylcyclopentyl)propan-1-ol
CID 65400346
(2S)-1-(4-methylcyclohexyl)butan-2-ol
CID 67556364
1,4-dimethylcyclohexane;3-methylpentane;propane
CID 91316763
3-cyclopropylpentan-2-ylcyclopentane
CID 90913708
heptane;1-methyl-4-propan-2-ylcyclohexane
CID 145172646
1-(3-ethyl-4-methylpentan-2-yl)-4-methylcyclohexane
CID 123280607
methane;1-methyl-4-propan-2-ylcyclohexane
CID 178082994
1-methyl-4-[3-(4-methylcyclohexyl)butan-2-yl]cyclohexane
CID 123821196
amino-(4-methylcyclohexyl)methanol
CID 89201512

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylcyclohexyl)pentan-2-ol?
The IUPAC name of 3-(4-methylcyclohexyl)pentan-2-ol (CID 79422150) is 3-(4-methylcyclohexyl)pentan-2-ol.
What is the SMILES notation for 3-(4-methylcyclohexyl)pentan-2-ol?
The canonical SMILES for 3-(4-methylcyclohexyl)pentan-2-ol is CCC(C(C)O)C1CCC(C)CC1.
What is the InChIKey of 3-(4-methylcyclohexyl)pentan-2-ol?
The InChIKey is HHKCFLCQBXUPNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O/c1-4-12(10(3)13)11-7-5-9(2)6-8-11/h9-13H,4-8H2,1-3H3.
What are the key properties of 3-(4-methylcyclohexyl)pentan-2-ol?
3-(4-methylcyclohexyl)pentan-2-ol has a molecular weight of 184.32 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylcyclohexyl)pentan-2-ol is sourced from PubChem (CID 79422150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).