3-phosphanylhexan-3-ylphosphane

C6H16P2 — CID 22753472

IUPAC3-phosphanylhexan-3-ylphosphane
SMILESCCCC(P)(P)CC
InChIInChI=1S/C6H16P2/c1-3-5-6(7,8)4-2/h3-5,7-8H2,1-2H3
InChIKeyCORMEKKYCCVHGT-UHFFFAOYSA-N
MW150.14 g/mol
LogP2.64
Rot. Bonds3

About 3-phosphanylhexan-3-ylphosphane

3-phosphanylhexan-3-ylphosphane (PubChem CID 22753472) has the molecular formula C6H16P2 and a molecular weight of 150.14 g/mol. Its IUPAC name is 3-phosphanylhexan-3-ylphosphane.

Molecular Properties

Compound Name3-phosphanylhexan-3-ylphosphane
PubChem CID22753472
Molecular FormulaC6H16P2
Molecular Weight150.14 g/mol
Exact Mass150.07
IUPAC Name3-phosphanylhexan-3-ylphosphane
SMILESCCCC(P)(P)CC
InChIInChI=1S/C6H16P2/c1-3-5-6(7,8)4-2/h3-5,7-8H2,1-2H3
InChIKeyCORMEKKYCCVHGT-UHFFFAOYSA-N
XLogP2.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.14
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 3-phosphanylhexan-3-ylphosphane 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-phosphanylhexan-3-ylphosphane?
The IUPAC name of 3-phosphanylhexan-3-ylphosphane (CID 22753472) is 3-phosphanylhexan-3-ylphosphane.
What is the SMILES notation for 3-phosphanylhexan-3-ylphosphane?
The canonical SMILES for 3-phosphanylhexan-3-ylphosphane is CCCC(P)(P)CC.
What is the InChIKey of 3-phosphanylhexan-3-ylphosphane?
The InChIKey is CORMEKKYCCVHGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16P2/c1-3-5-6(7,8)4-2/h3-5,7-8H2,1-2H3.
What are the key properties of 3-phosphanylhexan-3-ylphosphane?
3-phosphanylhexan-3-ylphosphane has a molecular weight of 150.14 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phosphanylhexan-3-ylphosphane is sourced from PubChem (CID 22753472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).