2-(4-methylpentyl)-4-propan-2-ylcyclohexan-1-ol

C15H30O — CID 83161089

IUPAC2-(4-methylpentyl)-4-propan-2-ylcyclohexan-1-ol
SMILESCC(C)CCCC1CC(C(C)C)CCC1O
InChIInChI=1S/C15H30O/c1-11(2)6-5-7-14-10-13(12(3)4)8-9-15(14)16/h11-16H,5-10H2,1-4H3
InChIKeyKVRXCFHFJHKLLJ-UHFFFAOYSA-N
MW226.40 g/mol
LogP4.25
Rot. Bonds5

About 2-(4-methylpentyl)-4-propan-2-ylcyclohexan-1-ol

2-(4-methylpentyl)-4-propan-2-ylcyclohexan-1-ol (PubChem CID 83161089) has the molecular formula C15H30O and a molecular weight of 226.40 g/mol. Its IUPAC name is 2-(4-methylpentyl)-4-propan-2-ylcyclohexan-1-ol.

Molecular Properties

Compound Name2-(4-methylpentyl)-4-propan-2-ylcyclohexan-1-ol
PubChem CID83161089
Molecular FormulaC15H30O
Molecular Weight226.40 g/mol
Exact Mass226.23
IUPAC Name2-(4-methylpentyl)-4-propan-2-ylcyclohexan-1-ol
SMILESCC(C)CCCC1CC(C(C)C)CCC1O
InChIInChI=1S/C15H30O/c1-11(2)6-5-7-14-10-13(12(3)4)8-9-15(14)16/h11-16H,5-10H2,1-4H3
InChIKeyKVRXCFHFJHKLLJ-UHFFFAOYSA-N
XLogP4.25
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.40
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-methoxybutyl)-4-propan-2-ylcyclohexan-1-ol
CID 104649029
2-(2-fluoroethyl)-4-propan-2-ylcyclohexan-1-ol
CID 80694968
N-methyl-2-(4-methylpentyl)-4-propan-2-ylcyclohexan-1-amine
CID 83158361
2-(3,3-dimethylbutyl)-4-propan-2-ylcyclohexan-1-ol
CID 63459622
2-ethyl-4-propan-2-ylcyclohexan-1-ol
CID 58534339
2-(3-phenylpropyl)-4-propan-2-ylcyclohexan-1-ol
CID 55194345
2-(3-hydroxy-3-methylbutyl)-4-propan-2-ylcyclohexan-1-ol
CID 79422840
2-(4-phenylbutyl)-4-propan-2-ylcyclohexan-1-ol
CID 114334467
2-pent-3-ynyl-4-propan-2-ylcyclohexan-1-ol
CID 104810061
2-(2-hydroxypropyl)-4-propan-2-ylcyclohexan-1-ol
CID 79423024
4-propan-2-yl-2-(2-propoxyethyl)cyclohexan-1-ol
CID 106455962
2-(4-methylpentyl)-4-propan-2-yl-N-propylcyclohexan-1-amine
CID 83158482

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpentyl)-4-propan-2-ylcyclohexan-1-ol?
The IUPAC name of 2-(4-methylpentyl)-4-propan-2-ylcyclohexan-1-ol (CID 83161089) is 2-(4-methylpentyl)-4-propan-2-ylcyclohexan-1-ol.
What is the SMILES notation for 2-(4-methylpentyl)-4-propan-2-ylcyclohexan-1-ol?
The canonical SMILES for 2-(4-methylpentyl)-4-propan-2-ylcyclohexan-1-ol is CC(C)CCCC1CC(C(C)C)CCC1O.
What is the InChIKey of 2-(4-methylpentyl)-4-propan-2-ylcyclohexan-1-ol?
The InChIKey is KVRXCFHFJHKLLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O/c1-11(2)6-5-7-14-10-13(12(3)4)8-9-15(14)16/h11-16H,5-10H2,1-4H3.
What are the key properties of 2-(4-methylpentyl)-4-propan-2-ylcyclohexan-1-ol?
2-(4-methylpentyl)-4-propan-2-ylcyclohexan-1-ol has a molecular weight of 226.40 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpentyl)-4-propan-2-ylcyclohexan-1-ol is sourced from PubChem (CID 83161089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).