dibutylphosphorylformonitrile

C9H18NOP — CID 23514201

IUPACdibutylphosphorylformonitrile
SMILESCCCCP(=O)(C#N)CCCC
InChIInChI=1S/C9H18NOP/c1-3-5-7-12(11,9-10)8-6-4-2/h3-8H2,1-2H3
InChIKeyYQSPIFJJIYWISB-UHFFFAOYSA-N
MW187.22 g/mol
LogP3.43
Rot. Bonds6

About dibutylphosphorylformonitrile

dibutylphosphorylformonitrile (PubChem CID 23514201) has the molecular formula C9H18NOP and a molecular weight of 187.22 g/mol. Its IUPAC name is dibutylphosphorylformonitrile.

Molecular Properties

Compound Namedibutylphosphorylformonitrile
PubChem CID23514201
Molecular FormulaC9H18NOP
Molecular Weight187.22 g/mol
Exact Mass187.11
IUPAC Namedibutylphosphorylformonitrile
SMILESCCCCP(=O)(C#N)CCCC
InChIInChI=1S/C9H18NOP/c1-3-5-7-12(11,9-10)8-6-4-2/h3-8H2,1-2H3
InChIKeyYQSPIFJJIYWISB-UHFFFAOYSA-N
XLogP3.43
TPSA40.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.22
LogP ≤ 53.43
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

CID 172720905
CID 172720905
2-(tributyl-λ5-phosphanylidene)acetonitrile
CID 158192317
sodium;boranuide;1-dibutylphosphorylbutane
CID 174755503
butyl(methyl)phosphinic acid
CID 10909622
1-[chloro(methyl)phosphoryl]butane
CID 14592594
butylphosphonic acid;neodymium
CID 134499527
tetrakis(dibutylphosphinate);tin(4+)
CID 175973447
dibutylphosphorylmethanol
CID 5219006
[butyl(hydroxy)phosphoryl]azanide
CID 163826899
[butyl(hydroxy)phosphoryl]phosphonic acid
CID 23219870
potassium;butylphosphonic acid;hydride
CID 174388690
alumane;butyl(propyl)phosphinic acid
CID 174987333

Frequently Asked Questions

What is the IUPAC name of dibutylphosphorylformonitrile?
The IUPAC name of dibutylphosphorylformonitrile (CID 23514201) is dibutylphosphorylformonitrile.
What is the SMILES notation for dibutylphosphorylformonitrile?
The canonical SMILES for dibutylphosphorylformonitrile is CCCCP(=O)(C#N)CCCC.
What is the InChIKey of dibutylphosphorylformonitrile?
The InChIKey is YQSPIFJJIYWISB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18NOP/c1-3-5-7-12(11,9-10)8-6-4-2/h3-8H2,1-2H3.
What are the key properties of dibutylphosphorylformonitrile?
dibutylphosphorylformonitrile has a molecular weight of 187.22 g/mol, XLogP of 3.43, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dibutylphosphorylformonitrile is sourced from PubChem (CID 23514201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).