3-(1-methylcyclopentyl)prop-1-en-2-ol

C9H16O — CID 118228795

IUPAC3-(1-methylcyclopentyl)prop-1-en-2-ol
SMILESC=C(O)CC1(C)CCCC1
InChIInChI=1S/C9H16O/c1-8(10)7-9(2)5-3-4-6-9/h10H,1,3-7H2,2H3
InChIKeyMNMHYTUVMOIPGU-UHFFFAOYSA-N
MW140.23 g/mol
LogP3.03
Rot. Bonds2

About 3-(1-methylcyclopentyl)prop-1-en-2-ol

3-(1-methylcyclopentyl)prop-1-en-2-ol (PubChem CID 118228795) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is 3-(1-methylcyclopentyl)prop-1-en-2-ol.

Molecular Properties

Compound Name3-(1-methylcyclopentyl)prop-1-en-2-ol
PubChem CID118228795
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name3-(1-methylcyclopentyl)prop-1-en-2-ol
SMILESC=C(O)CC1(C)CCCC1
InChIInChI=1S/C9H16O/c1-8(10)7-9(2)5-3-4-6-9/h10H,1,3-7H2,2H3
InChIKeyMNMHYTUVMOIPGU-UHFFFAOYSA-N
XLogP3.03
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze 3-(1-methylcyclopentyl)prop-1-en-2-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-(1-methylcyclopentyl)prop-1-en-2-ol?
The IUPAC name of 3-(1-methylcyclopentyl)prop-1-en-2-ol (CID 118228795) is 3-(1-methylcyclopentyl)prop-1-en-2-ol.
What is the SMILES notation for 3-(1-methylcyclopentyl)prop-1-en-2-ol?
The canonical SMILES for 3-(1-methylcyclopentyl)prop-1-en-2-ol is C=C(O)CC1(C)CCCC1.
What is the InChIKey of 3-(1-methylcyclopentyl)prop-1-en-2-ol?
The InChIKey is MNMHYTUVMOIPGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O/c1-8(10)7-9(2)5-3-4-6-9/h10H,1,3-7H2,2H3.
What are the key properties of 3-(1-methylcyclopentyl)prop-1-en-2-ol?
3-(1-methylcyclopentyl)prop-1-en-2-ol has a molecular weight of 140.23 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylcyclopentyl)prop-1-en-2-ol is sourced from PubChem (CID 118228795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).