1-(4-ethylcyclohexyl)-2,2-dimethylpropan-1-ol

C13H26O — CID 64748582

IUPAC1-(4-ethylcyclohexyl)-2,2-dimethylpropan-1-ol
SMILESCCC1CCC(C(O)C(C)(C)C)CC1
InChIInChI=1S/C13H26O/c1-5-10-6-8-11(9-7-10)12(14)13(2,3)4/h10-12,14H,5-9H2,1-4H3
InChIKeyNMVFZIQFWMPWEI-UHFFFAOYSA-N
MW198.35 g/mol
LogP3.61
Rot. Bonds2

About 1-(4-ethylcyclohexyl)-2,2-dimethylpropan-1-ol

1-(4-ethylcyclohexyl)-2,2-dimethylpropan-1-ol (PubChem CID 64748582) has the molecular formula C13H26O and a molecular weight of 198.35 g/mol. Its IUPAC name is 1-(4-ethylcyclohexyl)-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name1-(4-ethylcyclohexyl)-2,2-dimethylpropan-1-ol
PubChem CID64748582
Molecular FormulaC13H26O
Molecular Weight198.35 g/mol
Exact Mass198.20
IUPAC Name1-(4-ethylcyclohexyl)-2,2-dimethylpropan-1-ol
SMILESCCC1CCC(C(O)C(C)(C)C)CC1
InChIInChI=1S/C13H26O/c1-5-10-6-8-11(9-7-10)12(14)13(2,3)4/h10-12,14H,5-9H2,1-4H3
InChIKeyNMVFZIQFWMPWEI-UHFFFAOYSA-N
XLogP3.61
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
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 1-(4-ethylcyclohexyl)-2,2-dimethylpropan-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

2,2-dimethyl-1-(4-propylcyclohexyl)propan-1-ol
CID 65424304
2-(dimethylamino)-1-(4-ethylcyclohexyl)-2-methylbutan-1-ol
CID 79063478
1-(4-ethylcyclohexyl)-2-methyl-2-morpholin-4-ylbutan-1-ol
CID 79065767
2,2-dicyclopropyl-1-(4-ethylcyclohexyl)ethanol
CID 112743634
1-(4-ethylcyclohexyl)-4,4-dimethylpentan-1-ol
CID 65394345
1,3-dicyclopropyl-2,2-dimethylpropan-1-ol
CID 141352215
cyclopropyl-(3-ethylcyclopentyl)methanol
CID 65411720
1-(4-ethylcyclohexyl)-2-[(2-methylpropan-2-yl)oxy]ethanol
CID 105103646
1-(4-ethylcyclohexyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-ol
CID 103312537
2,2-dimethyl-1-[4-(trifluoromethyl)cyclohexyl]propan-1-ol
CID 105096783
cyclooctyl-(4-ethylcyclohexyl)methanol
CID 80602985
cyclohexyl-(4-ethylcyclohexyl)methanol
CID 64749927

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylcyclohexyl)-2,2-dimethylpropan-1-ol?
The IUPAC name of 1-(4-ethylcyclohexyl)-2,2-dimethylpropan-1-ol (CID 64748582) is 1-(4-ethylcyclohexyl)-2,2-dimethylpropan-1-ol.
What is the SMILES notation for 1-(4-ethylcyclohexyl)-2,2-dimethylpropan-1-ol?
The canonical SMILES for 1-(4-ethylcyclohexyl)-2,2-dimethylpropan-1-ol is CCC1CCC(C(O)C(C)(C)C)CC1.
What is the InChIKey of 1-(4-ethylcyclohexyl)-2,2-dimethylpropan-1-ol?
The InChIKey is NMVFZIQFWMPWEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O/c1-5-10-6-8-11(9-7-10)12(14)13(2,3)4/h10-12,14H,5-9H2,1-4H3.
What are the key properties of 1-(4-ethylcyclohexyl)-2,2-dimethylpropan-1-ol?
1-(4-ethylcyclohexyl)-2,2-dimethylpropan-1-ol has a molecular weight of 198.35 g/mol, XLogP of 3.61, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylcyclohexyl)-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 64748582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).