5-diethoxyphosphorylpentanenitrile

C9H18NO3P — CID 54374059

IUPAC5-diethoxyphosphorylpentanenitrile
SMILESCCOP(=O)(CCCCC#N)OCC
InChIInChI=1S/C9H18NO3P/c1-3-12-14(11,13-4-2)9-7-5-6-8-10/h3-7,9H2,1-2H3
InChIKeyUVFRNCYCPDYCAC-UHFFFAOYSA-N
MW219.22 g/mol
LogP2.95
Rot. Bonds8

About 5-diethoxyphosphorylpentanenitrile

5-diethoxyphosphorylpentanenitrile (PubChem CID 54374059) has the molecular formula C9H18NO3P and a molecular weight of 219.22 g/mol. Its IUPAC name is 5-diethoxyphosphorylpentanenitrile.

Molecular Properties

Compound Name5-diethoxyphosphorylpentanenitrile
PubChem CID54374059
Molecular FormulaC9H18NO3P
Molecular Weight219.22 g/mol
Exact Mass219.10
IUPAC Name5-diethoxyphosphorylpentanenitrile
SMILESCCOP(=O)(CCCCC#N)OCC
InChIInChI=1S/C9H18NO3P/c1-3-12-14(11,13-4-2)9-7-5-6-8-10/h3-7,9H2,1-2H3
InChIKeyUVFRNCYCPDYCAC-UHFFFAOYSA-N
XLogP2.95
TPSA59.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.22
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-diethoxyphosphoryldecane
CID 2773697
1-diethoxyphosphorylundecane
CID 57360026
8-diethoxyphosphoryloctan-1-ol
CID 10515886
4-diethoxyphosphorylsulfanylbutanenitrile
CID 102373246
1-[butyl(ethoxy)phosphoryl]oxytridec-2-yne
CID 91724498
sodium 2-cyanoethyl(ethoxy)phosphinate
CID 110190928
2-cyanoethyl diethyl phosphate
CID 54310763
13-diethoxyphosphoryltridecanoic acid
CID 87637864
11-diethoxyphosphorylundecanoic acid
CID 45158998
2-[ethoxy(propan-2-yloxy)phosphoryl]acetonitrile
CID 146474105
ethyl 5-diethoxyphosphorylpentanoate
CID 2773707
N,3-bis(diethoxyphosphoryl)propan-1-amine
CID 12557390

Frequently Asked Questions

What is the IUPAC name of 5-diethoxyphosphorylpentanenitrile?
The IUPAC name of 5-diethoxyphosphorylpentanenitrile (CID 54374059) is 5-diethoxyphosphorylpentanenitrile.
What is the SMILES notation for 5-diethoxyphosphorylpentanenitrile?
The canonical SMILES for 5-diethoxyphosphorylpentanenitrile is CCOP(=O)(CCCCC#N)OCC.
What is the InChIKey of 5-diethoxyphosphorylpentanenitrile?
The InChIKey is UVFRNCYCPDYCAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18NO3P/c1-3-12-14(11,13-4-2)9-7-5-6-8-10/h3-7,9H2,1-2H3.
What are the key properties of 5-diethoxyphosphorylpentanenitrile?
5-diethoxyphosphorylpentanenitrile has a molecular weight of 219.22 g/mol, XLogP of 2.95, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-diethoxyphosphorylpentanenitrile is sourced from PubChem (CID 54374059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).