5-propoxycyclooctene

C11H20O — CID 77387390

IUPAC5-propoxycyclooctene
SMILESCCCOC1CCC=CCCC1
InChIInChI=1S/C11H20O/c1-2-10-12-11-8-6-4-3-5-7-9-11/h3-4,11H,2,5-10H2,1H3
InChIKeySSNPNPYHECJOBD-UHFFFAOYSA-N
MW168.28 g/mol
LogP3.30
Rot. Bonds3

About 5-propoxycyclooctene

5-propoxycyclooctene (PubChem CID 77387390) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is 5-propoxycyclooctene.

Molecular Properties

Compound Name5-propoxycyclooctene
PubChem CID77387390
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name5-propoxycyclooctene
SMILESCCCOC1CCC=CCCC1
InChIInChI=1S/C11H20O/c1-2-10-12-11-8-6-4-3-5-7-9-11/h3-4,11H,2,5-10H2,1H3
InChIKeySSNPNPYHECJOBD-UHFFFAOYSA-N
XLogP3.30
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 5-propoxycyclooctene 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 5-propoxycyclooctene?
The IUPAC name of 5-propoxycyclooctene (CID 77387390) is 5-propoxycyclooctene.
What is the SMILES notation for 5-propoxycyclooctene?
The canonical SMILES for 5-propoxycyclooctene is CCCOC1CCC=CCCC1.
What is the InChIKey of 5-propoxycyclooctene?
The InChIKey is SSNPNPYHECJOBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O/c1-2-10-12-11-8-6-4-3-5-7-9-11/h3-4,11H,2,5-10H2,1H3.
What are the key properties of 5-propoxycyclooctene?
5-propoxycyclooctene has a molecular weight of 168.28 g/mol, XLogP of 3.30, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propoxycyclooctene is sourced from PubChem (CID 77387390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).