[2-dibutylphosphorylethyl(phenyl)phosphoryl]benzene

C22H32O2P2 — CID 2303583

IUPAC[2-dibutylphosphorylethyl(phenyl)phosphoryl]benzene
SMILESCCCCP(=O)(CCCC)CCP(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H32O2P2/c1-3-5-17-25(23,18-6-4-2)19-20-26(24,21-13-9-7-10-14-21)22-15-11-8-12-16-22/h7-16H,3-6,17-20H2,1-2H3
InChIKeyGIDJEHPJTUBUMN-UHFFFAOYSA-N
MW390.44 g/mol
LogP5.96
Rot. Bonds11

About [2-dibutylphosphorylethyl(phenyl)phosphoryl]benzene

[2-dibutylphosphorylethyl(phenyl)phosphoryl]benzene (PubChem CID 2303583) has the molecular formula C22H32O2P2 and a molecular weight of 390.44 g/mol. Its IUPAC name is [2-dibutylphosphorylethyl(phenyl)phosphoryl]benzene.

Molecular Properties

Compound Name[2-dibutylphosphorylethyl(phenyl)phosphoryl]benzene
PubChem CID2303583
Molecular FormulaC22H32O2P2
Molecular Weight390.44 g/mol
Exact Mass390.19
IUPAC Name[2-dibutylphosphorylethyl(phenyl)phosphoryl]benzene
SMILESCCCCP(=O)(CCCC)CCP(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H32O2P2/c1-3-5-17-25(23,18-6-4-2)19-20-26(24,21-13-9-7-10-14-21)22-15-11-8-12-16-22/h7-16H,3-6,17-20H2,1-2H3
InChIKeyGIDJEHPJTUBUMN-UHFFFAOYSA-N
XLogP5.96
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.44
LogP ≤ 55.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-dibutylphosphorylethyl(phenyl)phosphoryl]benzene?
The IUPAC name of [2-dibutylphosphorylethyl(phenyl)phosphoryl]benzene (CID 2303583) is [2-dibutylphosphorylethyl(phenyl)phosphoryl]benzene.
What is the SMILES notation for [2-dibutylphosphorylethyl(phenyl)phosphoryl]benzene?
The canonical SMILES for [2-dibutylphosphorylethyl(phenyl)phosphoryl]benzene is CCCCP(=O)(CCCC)CCP(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of [2-dibutylphosphorylethyl(phenyl)phosphoryl]benzene?
The InChIKey is GIDJEHPJTUBUMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32O2P2/c1-3-5-17-25(23,18-6-4-2)19-20-26(24,21-13-9-7-10-14-21)22-15-11-8-12-16-22/h7-16H,3-6,17-20H2,1-2H3.
What are the key properties of [2-dibutylphosphorylethyl(phenyl)phosphoryl]benzene?
[2-dibutylphosphorylethyl(phenyl)phosphoryl]benzene has a molecular weight of 390.44 g/mol, XLogP of 5.96, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-dibutylphosphorylethyl(phenyl)phosphoryl]benzene is sourced from PubChem (CID 2303583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).