2-ethyl-5-(3-methylbutyl)cyclohexan-1-ol

C13H26O — CID 145005052

IUPAC2-ethyl-5-(3-methylbutyl)cyclohexan-1-ol
SMILESCCC1CCC(CCC(C)C)CC1O
InChIInChI=1S/C13H26O/c1-4-12-8-7-11(9-13(12)14)6-5-10(2)3/h10-14H,4-9H2,1-3H3
InChIKeyIKNGPIALMYVDGQ-UHFFFAOYSA-N
MW198.35 g/mol
LogP3.61
Rot. Bonds4

About 2-ethyl-5-(3-methylbutyl)cyclohexan-1-ol

2-ethyl-5-(3-methylbutyl)cyclohexan-1-ol (PubChem CID 145005052) has the molecular formula C13H26O and a molecular weight of 198.35 g/mol. Its IUPAC name is 2-ethyl-5-(3-methylbutyl)cyclohexan-1-ol.

Molecular Properties

Compound Name2-ethyl-5-(3-methylbutyl)cyclohexan-1-ol
PubChem CID145005052
Molecular FormulaC13H26O
Molecular Weight198.35 g/mol
Exact Mass198.20
IUPAC Name2-ethyl-5-(3-methylbutyl)cyclohexan-1-ol
SMILESCCC1CCC(CCC(C)C)CC1O
InChIInChI=1S/C13H26O/c1-4-12-8-7-11(9-13(12)14)6-5-10(2)3/h10-14H,4-9H2,1-3H3
InChIKeyIKNGPIALMYVDGQ-UHFFFAOYSA-N
XLogP3.61
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-ethyl-5-(3-methylbutyl)cyclohexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-ethyl-5-propylcyclohexan-1-ol
CID 58534322
2-ethyl-4-(2-methylpropyl)cyclohexan-1-ol;2-ethyl-5-(2-methylpropyl)cyclohexan-1-ol
CID 158656489
ethane;2-methyl-4-(3-methylbutyl)cyclohexan-1-ol
CID 153331716
4-ethyl-2-methyl-1-(3-methylbutyl)cyclohexane
CID 143714576
(1S)-1-methyl-3-(3-methylbutyl)cyclopentane
CID 148998562
1-ethyl-4-(3-methylbutyl)cycloheptane
CID 123171853
(2R)-2-ethylcyclopropan-1-ol
CID 173498082
2-(2-methylpentyl)-4-propylcyclohexan-1-ol
CID 63461803
2-ethyl-5-[4-(4-ethylcyclohexyl)phenyl]cyclohexan-1-ol
CID 139648649
N-[[2-(3-methylbutyl)-4-propylcyclohexyl]methyl]propan-1-amine
CID 81029901
N-methyl-2-(3-methylbutyl)-4-propylcyclohexan-1-amine
CID 63403456
2-pentan-2-yl-4-propylcyclohexan-1-ol
CID 107885956

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-(3-methylbutyl)cyclohexan-1-ol?
The IUPAC name of 2-ethyl-5-(3-methylbutyl)cyclohexan-1-ol (CID 145005052) is 2-ethyl-5-(3-methylbutyl)cyclohexan-1-ol.
What is the SMILES notation for 2-ethyl-5-(3-methylbutyl)cyclohexan-1-ol?
The canonical SMILES for 2-ethyl-5-(3-methylbutyl)cyclohexan-1-ol is CCC1CCC(CCC(C)C)CC1O.
What is the InChIKey of 2-ethyl-5-(3-methylbutyl)cyclohexan-1-ol?
The InChIKey is IKNGPIALMYVDGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O/c1-4-12-8-7-11(9-13(12)14)6-5-10(2)3/h10-14H,4-9H2,1-3H3.
What are the key properties of 2-ethyl-5-(3-methylbutyl)cyclohexan-1-ol?
2-ethyl-5-(3-methylbutyl)cyclohexan-1-ol has a molecular weight of 198.35 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-(3-methylbutyl)cyclohexan-1-ol is sourced from PubChem (CID 145005052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).