1-dibutylphosphorylbutane;diphenylphosphorylbenzene

C30H42O2P2 — CID 174710140

IUPAC1-dibutylphosphorylbutane;diphenylphosphorylbenzene
SMILESCCCCP(=O)(CCCC)CCCC.O=P(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H15OP.C12H27OP/c19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-4-7-10-14(13,11-8-5-2)12-9-6-3/h1-15H;4-12H2,1-3H3
InChIKeyNLPHVLDVBSKYRI-UHFFFAOYSA-N
MW496.61 g/mol
LogP8.08
Rot. Bonds12

About 1-dibutylphosphorylbutane;diphenylphosphorylbenzene

1-dibutylphosphorylbutane;diphenylphosphorylbenzene (PubChem CID 174710140) has the molecular formula C30H42O2P2 and a molecular weight of 496.61 g/mol. Its IUPAC name is 1-dibutylphosphorylbutane;diphenylphosphorylbenzene.

Molecular Properties

Compound Name1-dibutylphosphorylbutane;diphenylphosphorylbenzene
PubChem CID174710140
Molecular FormulaC30H42O2P2
Molecular Weight496.61 g/mol
Exact Mass496.27
IUPAC Name1-dibutylphosphorylbutane;diphenylphosphorylbenzene
SMILESCCCCP(=O)(CCCC)CCCC.O=P(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H15OP.C12H27OP/c19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-4-7-10-14(13,11-8-5-2)12-9-6-3/h1-15H;4-12H2,1-3H3
InChIKeyNLPHVLDVBSKYRI-UHFFFAOYSA-N
XLogP8.08
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.61
LogP ≤ 58.08
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-dibutylphosphorylbutane;toluene
CID 175144849
butyl(phenyl)phosphinate
CID 51386598
1-diphenylphosphoryl-4-octylbenzene
CID 154968938
CID 172720905
CID 172720905
diphenylphosphorylbenzene;terbium
CID 86595283
1-[butyl(phenyl)phosphoryl]-4-chlorobenzene
CID 134968040
sodium;boranuide;1-dibutylphosphorylbutane
CID 174755503
1,3-bis(dibutylphosphoryl)benzene
CID 23418369
[butyl(phenyl)phosphoryl]-[2-[butyl(phenyl)phosphoryl]carbonylphenyl]methanone
CID 58825409
1,2-bis(dibutylphosphoryl)benzene
CID 138549467
dioctyl benzene-1,2-dicarboxylate;diphenylphosphorylbenzene
CID 160937449
[butyl(cyclohexyl)phosphoryl]benzene
CID 66796119

Frequently Asked Questions

What is the IUPAC name of 1-dibutylphosphorylbutane;diphenylphosphorylbenzene?
The IUPAC name of 1-dibutylphosphorylbutane;diphenylphosphorylbenzene (CID 174710140) is 1-dibutylphosphorylbutane;diphenylphosphorylbenzene.
What is the SMILES notation for 1-dibutylphosphorylbutane;diphenylphosphorylbenzene?
The canonical SMILES for 1-dibutylphosphorylbutane;diphenylphosphorylbenzene is CCCCP(=O)(CCCC)CCCC.O=P(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-dibutylphosphorylbutane;diphenylphosphorylbenzene?
The InChIKey is NLPHVLDVBSKYRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15OP.C12H27OP/c19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-4-7-10-14(13,11-8-5-2)12-9-6-3/h1-15H;4-12H2,1-3H3.
What are the key properties of 1-dibutylphosphorylbutane;diphenylphosphorylbenzene?
1-dibutylphosphorylbutane;diphenylphosphorylbenzene has a molecular weight of 496.61 g/mol, XLogP of 8.08, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dibutylphosphorylbutane;diphenylphosphorylbenzene is sourced from PubChem (CID 174710140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).