bis(prop-2-enyl)phosphane

C6H11P — CID 12858388

IUPACbis(prop-2-enyl)phosphane
SMILESC=CCPCC=C
InChIInChI=1S/C6H11P/c1-3-5-7-6-4-2/h3-4,7H,1-2,5-6H2
InChIKeyPQGAOGLZZIZHTI-UHFFFAOYSA-N
MW114.13 g/mol
LogP2.04
Rot. Bonds4

About bis(prop-2-enyl)phosphane

bis(prop-2-enyl)phosphane (PubChem CID 12858388) has the molecular formula C6H11P and a molecular weight of 114.13 g/mol. Its IUPAC name is bis(prop-2-enyl)phosphane.

Molecular Properties

Compound Namebis(prop-2-enyl)phosphane
PubChem CID12858388
Molecular FormulaC6H11P
Molecular Weight114.13 g/mol
Exact Mass114.06
IUPAC Namebis(prop-2-enyl)phosphane
SMILESC=CCPCC=C
InChIInChI=1S/C6H11P/c1-3-5-7-6-4-2/h3-4,7H,1-2,5-6H2
InChIKeyPQGAOGLZZIZHTI-UHFFFAOYSA-N
XLogP2.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.13
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze bis(prop-2-enyl)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 bis(prop-2-enyl)phosphane?
The IUPAC name of bis(prop-2-enyl)phosphane (CID 12858388) is bis(prop-2-enyl)phosphane.
What is the SMILES notation for bis(prop-2-enyl)phosphane?
The canonical SMILES for bis(prop-2-enyl)phosphane is C=CCPCC=C.
What is the InChIKey of bis(prop-2-enyl)phosphane?
The InChIKey is PQGAOGLZZIZHTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11P/c1-3-5-7-6-4-2/h3-4,7H,1-2,5-6H2.
What are the key properties of bis(prop-2-enyl)phosphane?
bis(prop-2-enyl)phosphane has a molecular weight of 114.13 g/mol, XLogP of 2.04, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(prop-2-enyl)phosphane is sourced from PubChem (CID 12858388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).