3-butoxycyclopentan-1-ol

C9H18O2 — CID 18952903

IUPAC3-butoxycyclopentan-1-ol
SMILESCCCCOC1CCC(O)C1
InChIInChI=1S/C9H18O2/c1-2-3-6-11-9-5-4-8(10)7-9/h8-10H,2-7H2,1H3
InChIKeyGVBBLWNXYHOTMJ-UHFFFAOYSA-N
MW158.24 g/mol
LogP1.72
Rot. Bonds4

About 3-butoxycyclopentan-1-ol

3-butoxycyclopentan-1-ol (PubChem CID 18952903) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is 3-butoxycyclopentan-1-ol.

Molecular Properties

Compound Name3-butoxycyclopentan-1-ol
PubChem CID18952903
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Name3-butoxycyclopentan-1-ol
SMILESCCCCOC1CCC(O)C1
InChIInChI=1S/C9H18O2/c1-2-3-6-11-9-5-4-8(10)7-9/h8-10H,2-7H2,1H3
InChIKeyGVBBLWNXYHOTMJ-UHFFFAOYSA-N
XLogP1.72
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-butoxycyclopentan-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-butoxycyclopentan-1-ol?
The IUPAC name of 3-butoxycyclopentan-1-ol (CID 18952903) is 3-butoxycyclopentan-1-ol.
What is the SMILES notation for 3-butoxycyclopentan-1-ol?
The canonical SMILES for 3-butoxycyclopentan-1-ol is CCCCOC1CCC(O)C1.
What is the InChIKey of 3-butoxycyclopentan-1-ol?
The InChIKey is GVBBLWNXYHOTMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O2/c1-2-3-6-11-9-5-4-8(10)7-9/h8-10H,2-7H2,1H3.
What are the key properties of 3-butoxycyclopentan-1-ol?
3-butoxycyclopentan-1-ol has a molecular weight of 158.24 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butoxycyclopentan-1-ol is sourced from PubChem (CID 18952903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).