cyclooctene;oxophosphane

C8H15OP — CID 174400607

IUPACcyclooctene;oxophosphane
SMILESC1=CCCCCCC1.O=P
InChIInChI=1S/C8H14.HOP/c1-2-4-6-8-7-5-3-1;1-2/h1-2H,3-8H2;2H
InChIKeyGGCAFKRRAGORLH-UHFFFAOYSA-N
MW158.18 g/mol
LogP3.37
Rot. Bonds

About cyclooctene;oxophosphane

cyclooctene;oxophosphane (PubChem CID 174400607) has the molecular formula C8H15OP and a molecular weight of 158.18 g/mol. Its IUPAC name is cyclooctene;oxophosphane.

Molecular Properties

Compound Namecyclooctene;oxophosphane
PubChem CID174400607
Molecular FormulaC8H15OP
Molecular Weight158.18 g/mol
Exact Mass158.09
IUPAC Namecyclooctene;oxophosphane
SMILESC1=CCCCCCC1.O=P
InChIInChI=1S/C8H14.HOP/c1-2-4-6-8-7-5-3-1;1-2/h1-2H,3-8H2;2H
InChIKeyGGCAFKRRAGORLH-UHFFFAOYSA-N
XLogP3.37
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.18
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze cyclooctene;oxophosphane 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 cyclooctene;oxophosphane?
The IUPAC name of cyclooctene;oxophosphane (CID 174400607) is cyclooctene;oxophosphane.
What is the SMILES notation for cyclooctene;oxophosphane?
The canonical SMILES for cyclooctene;oxophosphane is C1=CCCCCCC1.O=P.
What is the InChIKey of cyclooctene;oxophosphane?
The InChIKey is GGCAFKRRAGORLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14.HOP/c1-2-4-6-8-7-5-3-1;1-2/h1-2H,3-8H2;2H.
What are the key properties of cyclooctene;oxophosphane?
cyclooctene;oxophosphane has a molecular weight of 158.18 g/mol, XLogP of 3.37, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclooctene;oxophosphane is sourced from PubChem (CID 174400607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).