3-[2,3-bis(2-cyanoethoxy)-2-diethylphosphanylpropoxy]propanenitrile

C16H26N3O3P — CID 175823528

IUPAC3-[2,3-bis(2-cyanoethoxy)-2-diethylphosphanylpropoxy]propanenitrile
SMILESCCP(CC)C(COCCC#N)(COCCC#N)OCCC#N
InChIInChI=1S/C16H26N3O3P/c1-3-23(4-2)16(22-13-7-10-19,14-20-11-5-8-17)15-21-12-6-9-18/h3-7,11-15H2,1-2H3
InChIKeyQBFZCIBUOFZQHH-UHFFFAOYSA-N
MW339.38 g/mol
LogP3.00
Rot. Bonds14

About 3-[2,3-bis(2-cyanoethoxy)-2-diethylphosphanylpropoxy]propanenitrile

3-[2,3-bis(2-cyanoethoxy)-2-diethylphosphanylpropoxy]propanenitrile (PubChem CID 175823528) has the molecular formula C16H26N3O3P and a molecular weight of 339.38 g/mol. Its IUPAC name is 3-[2,3-bis(2-cyanoethoxy)-2-diethylphosphanylpropoxy]propanenitrile.

Molecular Properties

Compound Name3-[2,3-bis(2-cyanoethoxy)-2-diethylphosphanylpropoxy]propanenitrile
PubChem CID175823528
Molecular FormulaC16H26N3O3P
Molecular Weight339.38 g/mol
Exact Mass339.17
IUPAC Name3-[2,3-bis(2-cyanoethoxy)-2-diethylphosphanylpropoxy]propanenitrile
SMILESCCP(CC)C(COCCC#N)(COCCC#N)OCCC#N
InChIInChI=1S/C16H26N3O3P/c1-3-23(4-2)16(22-13-7-10-19,14-20-11-5-8-17)15-21-12-6-9-18/h3-7,11-15H2,1-2H3
InChIKeyQBFZCIBUOFZQHH-UHFFFAOYSA-N
XLogP3.00
TPSA99.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.38
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

3-[2-(2-cyanoethoxymethyl)-2-ethylbutoxy]propanenitrile
CID 58461553
3-[2-[2-[2-[2-(2-cyanoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propanenitrile
CID 13446505
3-(4-propoxybutoxy)propanenitrile
CID 146175563
3-(2-aminoethoxy)propanenitrile;hydrochloride
CID 86645514
3-[2-[2-[2-(2-cyanoethoxy)ethoxymethoxy]ethoxymethoxy]ethoxy]propanenitrile
CID 151275278
3-(2,2,3,3,4,4,5,5,6,6,6-undecafluorohexoxy)propanenitrile
CID 98460783
3-(2,2,3-trifluoropropoxy)propanenitrile
CID 177253506
6-(2-aminoethoxymethyl)-6-(2-cyanoethoxymethyl)-7-propoxyheptanenitrile
CID 88914376
3-(2-trimethylsilylethoxy)propanenitrile
CID 175133125
3-[2-(2-cyanoethoxymethyl)-3-(2-isocyanoethoxy)-2-(2-isocyanoethoxymethyl)propoxy]propanenitrile
CID 23569594
3-[2-(2-methylpropoxy)ethoxy]propanenitrile
CID 106447606
6-(2-cyanoethoxy)hexanenitrile
CID 142730413

Frequently Asked Questions

What is the IUPAC name of 3-[2,3-bis(2-cyanoethoxy)-2-diethylphosphanylpropoxy]propanenitrile?
The IUPAC name of 3-[2,3-bis(2-cyanoethoxy)-2-diethylphosphanylpropoxy]propanenitrile (CID 175823528) is 3-[2,3-bis(2-cyanoethoxy)-2-diethylphosphanylpropoxy]propanenitrile.
What is the SMILES notation for 3-[2,3-bis(2-cyanoethoxy)-2-diethylphosphanylpropoxy]propanenitrile?
The canonical SMILES for 3-[2,3-bis(2-cyanoethoxy)-2-diethylphosphanylpropoxy]propanenitrile is CCP(CC)C(COCCC#N)(COCCC#N)OCCC#N.
What is the InChIKey of 3-[2,3-bis(2-cyanoethoxy)-2-diethylphosphanylpropoxy]propanenitrile?
The InChIKey is QBFZCIBUOFZQHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N3O3P/c1-3-23(4-2)16(22-13-7-10-19,14-20-11-5-8-17)15-21-12-6-9-18/h3-7,11-15H2,1-2H3.
What are the key properties of 3-[2,3-bis(2-cyanoethoxy)-2-diethylphosphanylpropoxy]propanenitrile?
3-[2,3-bis(2-cyanoethoxy)-2-diethylphosphanylpropoxy]propanenitrile has a molecular weight of 339.38 g/mol, XLogP of 3.00, 14 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,3-bis(2-cyanoethoxy)-2-diethylphosphanylpropoxy]propanenitrile is sourced from PubChem (CID 175823528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).