3-diethylphosphanylbutan-2-yl(diethyl)phosphane

C12H28P2 — CID 140565151

IUPAC3-diethylphosphanylbutan-2-yl(diethyl)phosphane
SMILESCCP(CC)C(C)C(C)P(CC)CC
InChIInChI=1S/C12H28P2/c1-7-13(8-2)11(5)12(6)14(9-3)10-4/h11-12H,7-10H2,1-6H3
InChIKeyAIFYREJNHNDUKL-UHFFFAOYSA-N
MW234.30 g/mol
LogP4.81
Rot. Bonds7

About 3-diethylphosphanylbutan-2-yl(diethyl)phosphane

3-diethylphosphanylbutan-2-yl(diethyl)phosphane (PubChem CID 140565151) has the molecular formula C12H28P2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 3-diethylphosphanylbutan-2-yl(diethyl)phosphane.

Molecular Properties

Compound Name3-diethylphosphanylbutan-2-yl(diethyl)phosphane
PubChem CID140565151
Molecular FormulaC12H28P2
Molecular Weight234.30 g/mol
Exact Mass234.17
IUPAC Name3-diethylphosphanylbutan-2-yl(diethyl)phosphane
SMILESCCP(CC)C(C)C(C)P(CC)CC
InChIInChI=1S/C12H28P2/c1-7-13(8-2)11(5)12(6)14(9-3)10-4/h11-12H,7-10H2,1-6H3
InChIKeyAIFYREJNHNDUKL-UHFFFAOYSA-N
XLogP4.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 3-diethylphosphanylbutan-2-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 3-diethylphosphanylbutan-2-yl(diethyl)phosphane?
The IUPAC name of 3-diethylphosphanylbutan-2-yl(diethyl)phosphane (CID 140565151) is 3-diethylphosphanylbutan-2-yl(diethyl)phosphane.
What is the SMILES notation for 3-diethylphosphanylbutan-2-yl(diethyl)phosphane?
The canonical SMILES for 3-diethylphosphanylbutan-2-yl(diethyl)phosphane is CCP(CC)C(C)C(C)P(CC)CC.
What is the InChIKey of 3-diethylphosphanylbutan-2-yl(diethyl)phosphane?
The InChIKey is AIFYREJNHNDUKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28P2/c1-7-13(8-2)11(5)12(6)14(9-3)10-4/h11-12H,7-10H2,1-6H3.
What are the key properties of 3-diethylphosphanylbutan-2-yl(diethyl)phosphane?
3-diethylphosphanylbutan-2-yl(diethyl)phosphane has a molecular weight of 234.30 g/mol, XLogP of 4.81, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-diethylphosphanylbutan-2-yl(diethyl)phosphane is sourced from PubChem (CID 140565151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).