2-(2-methylpentyl)-4-propylcyclohexan-1-ol

C15H30O — CID 63461803

IUPAC2-(2-methylpentyl)-4-propylcyclohexan-1-ol
SMILESCCCC(C)CC1CC(CCC)CCC1O
InChIInChI=1S/C15H30O/c1-4-6-12(3)10-14-11-13(7-5-2)8-9-15(14)16/h12-16H,4-11H2,1-3H3
InChIKeyBBHBIQGRXPCDOZ-UHFFFAOYSA-N
MW226.40 g/mol
LogP4.39
Rot. Bonds6

About 2-(2-methylpentyl)-4-propylcyclohexan-1-ol

2-(2-methylpentyl)-4-propylcyclohexan-1-ol (PubChem CID 63461803) has the molecular formula C15H30O and a molecular weight of 226.40 g/mol. Its IUPAC name is 2-(2-methylpentyl)-4-propylcyclohexan-1-ol.

Molecular Properties

Compound Name2-(2-methylpentyl)-4-propylcyclohexan-1-ol
PubChem CID63461803
Molecular FormulaC15H30O
Molecular Weight226.40 g/mol
Exact Mass226.23
IUPAC Name2-(2-methylpentyl)-4-propylcyclohexan-1-ol
SMILESCCCC(C)CC1CC(CCC)CCC1O
InChIInChI=1S/C15H30O/c1-4-6-12(3)10-14-11-13(7-5-2)8-9-15(14)16/h12-16H,4-11H2,1-3H3
InChIKeyBBHBIQGRXPCDOZ-UHFFFAOYSA-N
XLogP4.39
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.40
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpentyl)-4-propylcyclohexan-1-ol?
The IUPAC name of 2-(2-methylpentyl)-4-propylcyclohexan-1-ol (CID 63461803) is 2-(2-methylpentyl)-4-propylcyclohexan-1-ol.
What is the SMILES notation for 2-(2-methylpentyl)-4-propylcyclohexan-1-ol?
The canonical SMILES for 2-(2-methylpentyl)-4-propylcyclohexan-1-ol is CCCC(C)CC1CC(CCC)CCC1O.
What is the InChIKey of 2-(2-methylpentyl)-4-propylcyclohexan-1-ol?
The InChIKey is BBHBIQGRXPCDOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O/c1-4-6-12(3)10-14-11-13(7-5-2)8-9-15(14)16/h12-16H,4-11H2,1-3H3.
What are the key properties of 2-(2-methylpentyl)-4-propylcyclohexan-1-ol?
2-(2-methylpentyl)-4-propylcyclohexan-1-ol has a molecular weight of 226.40 g/mol, XLogP of 4.39, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpentyl)-4-propylcyclohexan-1-ol is sourced from PubChem (CID 63461803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).