1-(2,2-dimethylcyclopentyl)ethanol

C9H18O — CID 79863633

IUPAC1-(2,2-dimethylcyclopentyl)ethanol
SMILESCC(O)C1CCCC1(C)C
InChIInChI=1S/C9H18O/c1-7(10)8-5-4-6-9(8,2)3/h7-8,10H,4-6H2,1-3H3
InChIKeyVFGAYOZSNWKMEB-UHFFFAOYSA-N
MW142.24 g/mol
LogP2.19
Rot. Bonds1

About 1-(2,2-dimethylcyclopentyl)ethanol

1-(2,2-dimethylcyclopentyl)ethanol (PubChem CID 79863633) has the molecular formula C9H18O and a molecular weight of 142.24 g/mol. Its IUPAC name is 1-(2,2-dimethylcyclopentyl)ethanol.

Molecular Properties

Compound Name1-(2,2-dimethylcyclopentyl)ethanol
PubChem CID79863633
Molecular FormulaC9H18O
Molecular Weight142.24 g/mol
Exact Mass142.14
IUPAC Name1-(2,2-dimethylcyclopentyl)ethanol
SMILESCC(O)C1CCCC1(C)C
InChIInChI=1S/C9H18O/c1-7(10)8-5-4-6-9(8,2)3/h7-8,10H,4-6H2,1-3H3
InChIKeyVFGAYOZSNWKMEB-UHFFFAOYSA-N
XLogP2.19
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.24
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(2,2-dimethylcyclopentyl)ethanol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylcyclopentyl)ethanol?
The IUPAC name of 1-(2,2-dimethylcyclopentyl)ethanol (CID 79863633) is 1-(2,2-dimethylcyclopentyl)ethanol.
What is the SMILES notation for 1-(2,2-dimethylcyclopentyl)ethanol?
The canonical SMILES for 1-(2,2-dimethylcyclopentyl)ethanol is CC(O)C1CCCC1(C)C.
What is the InChIKey of 1-(2,2-dimethylcyclopentyl)ethanol?
The InChIKey is VFGAYOZSNWKMEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O/c1-7(10)8-5-4-6-9(8,2)3/h7-8,10H,4-6H2,1-3H3.
What are the key properties of 1-(2,2-dimethylcyclopentyl)ethanol?
1-(2,2-dimethylcyclopentyl)ethanol has a molecular weight of 142.24 g/mol, XLogP of 2.19, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylcyclopentyl)ethanol is sourced from PubChem (CID 79863633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).