2-[ethoxy(propan-2-yloxy)phosphoryl]acetonitrile

C7H14NO3P — CID 146474105

IUPAC2-[ethoxy(propan-2-yloxy)phosphoryl]acetonitrile
SMILESCCOP(=O)(CC#N)OC(C)C
InChIInChI=1S/C7H14NO3P/c1-4-10-12(9,6-5-8)11-7(2)3/h7H,4,6H2,1-3H3
InChIKeyKDYLZRKKWNUXER-UHFFFAOYSA-N
MW191.17 g/mol
LogP2.16
Rot. Bonds5

About 2-[ethoxy(propan-2-yloxy)phosphoryl]acetonitrile

2-[ethoxy(propan-2-yloxy)phosphoryl]acetonitrile (PubChem CID 146474105) has the molecular formula C7H14NO3P and a molecular weight of 191.17 g/mol. Its IUPAC name is 2-[ethoxy(propan-2-yloxy)phosphoryl]acetonitrile.

Molecular Properties

Compound Name2-[ethoxy(propan-2-yloxy)phosphoryl]acetonitrile
PubChem CID146474105
Molecular FormulaC7H14NO3P
Molecular Weight191.17 g/mol
Exact Mass191.07
IUPAC Name2-[ethoxy(propan-2-yloxy)phosphoryl]acetonitrile
SMILESCCOP(=O)(CC#N)OC(C)C
InChIInChI=1S/C7H14NO3P/c1-4-10-12(9,6-5-8)11-7(2)3/h7H,4,6H2,1-3H3
InChIKeyKDYLZRKKWNUXER-UHFFFAOYSA-N
XLogP2.16
TPSA59.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.17
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-diethoxyphosphorylpentanenitrile
CID 54374059
potassium cyanomethyl(ethoxy)phosphinate
CID 134863718
2-diethoxyphosphoryl-3-methylbutanenitrile
CID 11031342
2-[ethyl-[ethyl(propan-2-yloxy)phosphoryl]oxyphosphoryl]oxypropane
CID 134976793
2-[ethoxy(ethylamino)phosphoryl]acetonitrile
CID 163668716
[amino(ethoxy)phosphoryl]formonitrile
CID 15249953
3,3-bis(diethoxyphosphoryl)propanenitrile
CID 15162590
1-diethoxyphosphorylpent-2-yne
CID 140969435
3-diethoxyphosphorylpentanenitrile
CID 54443220
2-[ethoxy(propan-2-yloxy)phosphoryl]propan-2-ol
CID 12012614
3-[ethoxy(ethyl)phosphoryl]oxy-2,2-dimethylbutane
CID 170850874
2-(diethoxyphosphorylmethyl)prop-2-enenitrile
CID 10655750

Frequently Asked Questions

What is the IUPAC name of 2-[ethoxy(propan-2-yloxy)phosphoryl]acetonitrile?
The IUPAC name of 2-[ethoxy(propan-2-yloxy)phosphoryl]acetonitrile (CID 146474105) is 2-[ethoxy(propan-2-yloxy)phosphoryl]acetonitrile.
What is the SMILES notation for 2-[ethoxy(propan-2-yloxy)phosphoryl]acetonitrile?
The canonical SMILES for 2-[ethoxy(propan-2-yloxy)phosphoryl]acetonitrile is CCOP(=O)(CC#N)OC(C)C.
What is the InChIKey of 2-[ethoxy(propan-2-yloxy)phosphoryl]acetonitrile?
The InChIKey is KDYLZRKKWNUXER-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14NO3P/c1-4-10-12(9,6-5-8)11-7(2)3/h7H,4,6H2,1-3H3.
What are the key properties of 2-[ethoxy(propan-2-yloxy)phosphoryl]acetonitrile?
2-[ethoxy(propan-2-yloxy)phosphoryl]acetonitrile has a molecular weight of 191.17 g/mol, XLogP of 2.16, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethoxy(propan-2-yloxy)phosphoryl]acetonitrile is sourced from PubChem (CID 146474105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).