3-(5-hydroxypent-1-en-2-yl)-1,2-dimethylcyclopentan-1-ol

C12H22O2 — CID 500065

IUPAC3-(5-hydroxypent-1-en-2-yl)-1,2-dimethylcyclopentan-1-ol
SMILESC=C(CCCO)C1CCC(C)(O)C1C
InChIInChI=1S/C12H22O2/c1-9(5-4-8-13)11-6-7-12(3,14)10(11)2/h10-11,13-14H,1,4-8H2,2-3H3
InChIKeyMLBPPDRXJFCPML-UHFFFAOYSA-N
MW198.31 g/mol
LogP2.11
Rot. Bonds4

About 3-(5-hydroxypent-1-en-2-yl)-1,2-dimethylcyclopentan-1-ol

3-(5-hydroxypent-1-en-2-yl)-1,2-dimethylcyclopentan-1-ol (PubChem CID 500065) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is 3-(5-hydroxypent-1-en-2-yl)-1,2-dimethylcyclopentan-1-ol.

Molecular Properties

Compound Name3-(5-hydroxypent-1-en-2-yl)-1,2-dimethylcyclopentan-1-ol
PubChem CID500065
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name3-(5-hydroxypent-1-en-2-yl)-1,2-dimethylcyclopentan-1-ol
SMILESC=C(CCCO)C1CCC(C)(O)C1C
InChIInChI=1S/C12H22O2/c1-9(5-4-8-13)11-6-7-12(3,14)10(11)2/h10-11,13-14H,1,4-8H2,2-3H3
InChIKeyMLBPPDRXJFCPML-UHFFFAOYSA-N
XLogP2.11
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(5-hydroxypent-1-en-2-yl)-1,2-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-(5-hydroxypent-1-en-2-yl)-1,2-dimethylcyclopentan-1-ol?
The IUPAC name of 3-(5-hydroxypent-1-en-2-yl)-1,2-dimethylcyclopentan-1-ol (CID 500065) is 3-(5-hydroxypent-1-en-2-yl)-1,2-dimethylcyclopentan-1-ol.
What is the SMILES notation for 3-(5-hydroxypent-1-en-2-yl)-1,2-dimethylcyclopentan-1-ol?
The canonical SMILES for 3-(5-hydroxypent-1-en-2-yl)-1,2-dimethylcyclopentan-1-ol is C=C(CCCO)C1CCC(C)(O)C1C.
What is the InChIKey of 3-(5-hydroxypent-1-en-2-yl)-1,2-dimethylcyclopentan-1-ol?
The InChIKey is MLBPPDRXJFCPML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2/c1-9(5-4-8-13)11-6-7-12(3,14)10(11)2/h10-11,13-14H,1,4-8H2,2-3H3.
What are the key properties of 3-(5-hydroxypent-1-en-2-yl)-1,2-dimethylcyclopentan-1-ol?
3-(5-hydroxypent-1-en-2-yl)-1,2-dimethylcyclopentan-1-ol has a molecular weight of 198.31 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-hydroxypent-1-en-2-yl)-1,2-dimethylcyclopentan-1-ol is sourced from PubChem (CID 500065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).