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

C9H16O — CID 115814911

IUPAC1-(1-methylcyclopentyl)prop-2-en-1-ol
SMILESC=CC(O)C1(C)CCCC1
InChIInChI=1S/C9H16O/c1-3-8(10)9(2)6-4-5-7-9/h3,8,10H,1,4-7H2,2H3
InChIKeyQQRPWIJXQCNPLQ-UHFFFAOYSA-N
MW140.23 g/mol
LogP2.11
Rot. Bonds2

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

1-(1-methylcyclopentyl)prop-2-en-1-ol (PubChem CID 115814911) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is 1-(1-methylcyclopentyl)prop-2-en-1-ol.

Molecular Properties

Compound Name1-(1-methylcyclopentyl)prop-2-en-1-ol
PubChem CID115814911
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name1-(1-methylcyclopentyl)prop-2-en-1-ol
SMILESC=CC(O)C1(C)CCCC1
InChIInChI=1S/C9H16O/c1-3-8(10)9(2)6-4-5-7-9/h3,8,10H,1,4-7H2,2H3
InChIKeyQQRPWIJXQCNPLQ-UHFFFAOYSA-N
XLogP2.11
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 ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-(1-methylcyclopentyl)prop-2-en-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

1-[1-(1-hydroxyprop-2-enyl)cyclohexyl]prop-2-en-1-ol
CID 57165593
1-(1-methylcyclohexyl)prop-2-enylhydrazine
CID 106831272
1-(1,2,2,3-tetramethylcyclopentyl)prop-2-en-1-ol
CID 12621291
1-(1-butylcyclobutyl)prop-2-en-1-ol
CID 142645457
1-[2-(1-hydroxyprop-2-enyl)oxolan-2-yl]prop-2-en-1-ol
CID 66587599
(1S)-1-(3-methyl-1,5-dioxaspiro[5.5]undecan-3-yl)but-3-en-1-ol
CID 10879257
chloro-(1-methylcyclobutyl)methanol
CID 146531117
2-cyclohexyl-1-(1-methylcyclopentyl)ethanol
CID 115786279
2-methyl-1-(1-methylcyclohexyl)but-3-en-1-one
CID 15130498
1-methyl-1-undec-1-en-3-ylcyclohexane
CID 11107782
1-(difluoromethyl)-1-methylcyclopentane
CID 134531916
1,1,6-trimethyl-6-oct-1-en-3-ylcyclododecane
CID 90993293

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylcyclopentyl)prop-2-en-1-ol?
The IUPAC name of 1-(1-methylcyclopentyl)prop-2-en-1-ol (CID 115814911) is 1-(1-methylcyclopentyl)prop-2-en-1-ol.
What is the SMILES notation for 1-(1-methylcyclopentyl)prop-2-en-1-ol?
The canonical SMILES for 1-(1-methylcyclopentyl)prop-2-en-1-ol is C=CC(O)C1(C)CCCC1.
What is the InChIKey of 1-(1-methylcyclopentyl)prop-2-en-1-ol?
The InChIKey is QQRPWIJXQCNPLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O/c1-3-8(10)9(2)6-4-5-7-9/h3,8,10H,1,4-7H2,2H3.
What are the key properties of 1-(1-methylcyclopentyl)prop-2-en-1-ol?
1-(1-methylcyclopentyl)prop-2-en-1-ol has a molecular weight of 140.23 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylcyclopentyl)prop-2-en-1-ol is sourced from PubChem (CID 115814911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).