cyclopenta-1,4-dien-1-yl(diethyl)phosphane

C9H15P — CID 137294143

IUPACcyclopenta-1,4-dien-1-yl(diethyl)phosphane
SMILESCCP(CC)C1=CCC=C1
InChIInChI=1S/C9H15P/c1-3-10(4-2)9-7-5-6-8-9/h5,7-8H,3-4,6H2,1-2H3
InChIKeyQGRMBOVRUAHSRJ-UHFFFAOYSA-N
MW154.19 g/mol
LogP3.35
Rot. Bonds3

About cyclopenta-1,4-dien-1-yl(diethyl)phosphane

cyclopenta-1,4-dien-1-yl(diethyl)phosphane (PubChem CID 137294143) has the molecular formula C9H15P and a molecular weight of 154.19 g/mol. Its IUPAC name is cyclopenta-1,4-dien-1-yl(diethyl)phosphane.

Molecular Properties

Compound Namecyclopenta-1,4-dien-1-yl(diethyl)phosphane
PubChem CID137294143
Molecular FormulaC9H15P
Molecular Weight154.19 g/mol
Exact Mass154.09
IUPAC Namecyclopenta-1,4-dien-1-yl(diethyl)phosphane
SMILESCCP(CC)C1=CCC=C1
InChIInChI=1S/C9H15P/c1-3-10(4-2)9-7-5-6-8-9/h5,7-8H,3-4,6H2,1-2H3
InChIKeyQGRMBOVRUAHSRJ-UHFFFAOYSA-N
XLogP3.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.19
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze cyclopenta-1,4-dien-1-yl(diethyl)phosphane 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 cyclopenta-1,4-dien-1-yl(diethyl)phosphane?
The IUPAC name of cyclopenta-1,4-dien-1-yl(diethyl)phosphane (CID 137294143) is cyclopenta-1,4-dien-1-yl(diethyl)phosphane.
What is the SMILES notation for cyclopenta-1,4-dien-1-yl(diethyl)phosphane?
The canonical SMILES for cyclopenta-1,4-dien-1-yl(diethyl)phosphane is CCP(CC)C1=CCC=C1.
What is the InChIKey of cyclopenta-1,4-dien-1-yl(diethyl)phosphane?
The InChIKey is QGRMBOVRUAHSRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15P/c1-3-10(4-2)9-7-5-6-8-9/h5,7-8H,3-4,6H2,1-2H3.
What are the key properties of cyclopenta-1,4-dien-1-yl(diethyl)phosphane?
cyclopenta-1,4-dien-1-yl(diethyl)phosphane has a molecular weight of 154.19 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,4-dien-1-yl(diethyl)phosphane is sourced from PubChem (CID 137294143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).