3,3-dimethylcyclopentan-1-ol

C7H14O — CID 12867358

IUPAC3,3-dimethylcyclopentan-1-ol
SMILESCC1(C)CCC(O)C1
InChIInChI=1S/C7H14O/c1-7(2)4-3-6(8)5-7/h6,8H,3-5H2,1-2H3
InChIKeyQKFKROULLRFXMV-UHFFFAOYSA-N
MW114.19 g/mol
LogP1.56
Rot. Bonds

About 3,3-dimethylcyclopentan-1-ol

3,3-dimethylcyclopentan-1-ol (PubChem CID 12867358) has the molecular formula C7H14O and a molecular weight of 114.19 g/mol. Its IUPAC name is 3,3-dimethylcyclopentan-1-ol.

Molecular Properties

Compound Name3,3-dimethylcyclopentan-1-ol
PubChem CID12867358
Molecular FormulaC7H14O
Molecular Weight114.19 g/mol
Exact Mass114.10
IUPAC Name3,3-dimethylcyclopentan-1-ol
SMILESCC1(C)CCC(O)C1
InChIInChI=1S/C7H14O/c1-7(2)4-3-6(8)5-7/h6,8H,3-5H2,1-2H3
InChIKeyQKFKROULLRFXMV-UHFFFAOYSA-N
XLogP1.56
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.19
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3,3-dimethylcyclopentan-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

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethylcyclopentan-1-ol?
The IUPAC name of 3,3-dimethylcyclopentan-1-ol (CID 12867358) is 3,3-dimethylcyclopentan-1-ol.
What is the SMILES notation for 3,3-dimethylcyclopentan-1-ol?
The canonical SMILES for 3,3-dimethylcyclopentan-1-ol is CC1(C)CCC(O)C1.
What is the InChIKey of 3,3-dimethylcyclopentan-1-ol?
The InChIKey is QKFKROULLRFXMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O/c1-7(2)4-3-6(8)5-7/h6,8H,3-5H2,1-2H3.
What are the key properties of 3,3-dimethylcyclopentan-1-ol?
3,3-dimethylcyclopentan-1-ol has a molecular weight of 114.19 g/mol, XLogP of 1.56, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethylcyclopentan-1-ol is sourced from PubChem (CID 12867358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).