1,2-bis(dibutylphosphoryl)benzene

C22H40O2P2 — CID 138549467

IUPAC1,2-bis(dibutylphosphoryl)benzene
SMILESCCCCP(=O)(CCCC)c1ccccc1P(=O)(CCCC)CCCC
InChIInChI=1S/C22H40O2P2/c1-5-9-17-25(23,18-10-6-2)21-15-13-14-16-22(21)26(24,19-11-7-3)20-12-8-4/h13-16H,5-12,17-20H2,1-4H3
InChIKeyUOZZODXMUSTKRF-UHFFFAOYSA-N
MW398.51 g/mol
LogP6.86
Rot. Bonds14

About 1,2-bis(dibutylphosphoryl)benzene

1,2-bis(dibutylphosphoryl)benzene (PubChem CID 138549467) has the molecular formula C22H40O2P2 and a molecular weight of 398.51 g/mol. Its IUPAC name is 1,2-bis(dibutylphosphoryl)benzene.

Molecular Properties

Compound Name1,2-bis(dibutylphosphoryl)benzene
PubChem CID138549467
Molecular FormulaC22H40O2P2
Molecular Weight398.51 g/mol
Exact Mass398.25
IUPAC Name1,2-bis(dibutylphosphoryl)benzene
SMILESCCCCP(=O)(CCCC)c1ccccc1P(=O)(CCCC)CCCC
InChIInChI=1S/C22H40O2P2/c1-5-9-17-25(23,18-10-6-2)21-15-13-14-16-22(21)26(24,19-11-7-3)20-12-8-4/h13-16H,5-12,17-20H2,1-4H3
InChIKeyUOZZODXMUSTKRF-UHFFFAOYSA-N
XLogP6.86
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.51
LogP ≤ 56.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-dibutylphosphoryl-2-methoxybenzene
CID 15651948
1,3-bis(dibutylphosphoryl)benzene
CID 23418369
2-dibutylphosphorylnaphthalene
CID 102600182
1-dibutylphosphorylbutane;toluene
CID 175144849
1-ethyl-2-[(2-ethylphenyl)-octylphosphoryl]benzene
CID 70478247
butyl(phenyl)phosphinate
CID 51386598
1-dibutylphosphorylbutane;diphenylphosphorylbenzene
CID 174710140
1-[butyl(phenyl)phosphoryl]-2-methoxybenzene
CID 14663612
dipentylphosphorylbenzene;methane;1,3,5-trimethylbenzene
CID 174903379
2-amino-4-[butyl(phenyl)phosphoryl]butanoic acid
CID 141175434
1-[butyl(methoxy)phosphoryl]-2-nitrobenzene
CID 117059286
N-(tributyl-lambda5-phosphanylidene)benzamide
CID 14957418

Frequently Asked Questions

What is the IUPAC name of 1,2-bis(dibutylphosphoryl)benzene?
The IUPAC name of 1,2-bis(dibutylphosphoryl)benzene (CID 138549467) is 1,2-bis(dibutylphosphoryl)benzene.
What is the SMILES notation for 1,2-bis(dibutylphosphoryl)benzene?
The canonical SMILES for 1,2-bis(dibutylphosphoryl)benzene is CCCCP(=O)(CCCC)c1ccccc1P(=O)(CCCC)CCCC.
What is the InChIKey of 1,2-bis(dibutylphosphoryl)benzene?
The InChIKey is UOZZODXMUSTKRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H40O2P2/c1-5-9-17-25(23,18-10-6-2)21-15-13-14-16-22(21)26(24,19-11-7-3)20-12-8-4/h13-16H,5-12,17-20H2,1-4H3.
What are the key properties of 1,2-bis(dibutylphosphoryl)benzene?
1,2-bis(dibutylphosphoryl)benzene has a molecular weight of 398.51 g/mol, XLogP of 6.86, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(dibutylphosphoryl)benzene is sourced from PubChem (CID 138549467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).