1-dibutylphosphorylbutane;toluene

C19H35OP — CID 175144849

IUPAC1-dibutylphosphorylbutane;toluene
SMILESCCCCP(=O)(CCCC)CCCC.Cc1ccccc1
InChIInChI=1S/C12H27OP.C7H8/c1-4-7-10-14(13,11-8-5-2)12-9-6-3;1-7-5-3-2-4-6-7/h4-12H2,1-3H3;2-6H,1H3
InChIKeyZGDVZOXHZPKJFY-UHFFFAOYSA-N
MW310.46 g/mol
LogP6.74
Rot. Bonds9

About 1-dibutylphosphorylbutane;toluene

1-dibutylphosphorylbutane;toluene (PubChem CID 175144849) has the molecular formula C19H35OP and a molecular weight of 310.46 g/mol. Its IUPAC name is 1-dibutylphosphorylbutane;toluene.

Molecular Properties

Compound Name1-dibutylphosphorylbutane;toluene
PubChem CID175144849
Molecular FormulaC19H35OP
Molecular Weight310.46 g/mol
Exact Mass310.24
IUPAC Name1-dibutylphosphorylbutane;toluene
SMILESCCCCP(=O)(CCCC)CCCC.Cc1ccccc1
InChIInChI=1S/C12H27OP.C7H8/c1-4-7-10-14(13,11-8-5-2)12-9-6-3;1-7-5-3-2-4-6-7/h4-12H2,1-3H3;2-6H,1H3
InChIKeyZGDVZOXHZPKJFY-UHFFFAOYSA-N
XLogP6.74
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.46
LogP ≤ 56.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-dibutylphosphorylbutane;diphenylphosphorylbenzene
CID 174710140
bis(heptane);toluene
CID 157306102
benzene;heptane;hexane;toluene
CID 160959480
pentane;toluene;dihydrochloride
CID 174930487
ethane;heptane;toluene
CID 145106448
decane;sulfane;toluene
CID 157105742
CID 172720905
CID 172720905
sodium;boranuide;1-dibutylphosphorylbutane
CID 174755503
benzene;butan-1-ol;toluene
CID 163426889
benzene;propane;toluene
CID 91053661
propane;toluene
CID 91364516
propane;toluene
CID 91263172

Frequently Asked Questions

What is the IUPAC name of 1-dibutylphosphorylbutane;toluene?
The IUPAC name of 1-dibutylphosphorylbutane;toluene (CID 175144849) is 1-dibutylphosphorylbutane;toluene.
What is the SMILES notation for 1-dibutylphosphorylbutane;toluene?
The canonical SMILES for 1-dibutylphosphorylbutane;toluene is CCCCP(=O)(CCCC)CCCC.Cc1ccccc1.
What is the InChIKey of 1-dibutylphosphorylbutane;toluene?
The InChIKey is ZGDVZOXHZPKJFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27OP.C7H8/c1-4-7-10-14(13,11-8-5-2)12-9-6-3;1-7-5-3-2-4-6-7/h4-12H2,1-3H3;2-6H,1H3.
What are the key properties of 1-dibutylphosphorylbutane;toluene?
1-dibutylphosphorylbutane;toluene has a molecular weight of 310.46 g/mol, XLogP of 6.74, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dibutylphosphorylbutane;toluene is sourced from PubChem (CID 175144849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).