butan-2-yl(2-cyanoethoxy)phosphinous acid

C7H14NO2P — CID 90918248

IUPACbutan-2-yl(2-cyanoethoxy)phosphinous acid
SMILESCCC(C)P(O)OCCC#N
InChIInChI=1S/C7H14NO2P/c1-3-7(2)11(9)10-6-4-5-8/h7,9H,3-4,6H2,1-2H3
InChIKeyIRFJDZOWPKLJIZ-UHFFFAOYSA-N
MW175.17 g/mol
LogP2.02
Rot. Bonds5

About butan-2-yl(2-cyanoethoxy)phosphinous acid

butan-2-yl(2-cyanoethoxy)phosphinous acid (PubChem CID 90918248) has the molecular formula C7H14NO2P and a molecular weight of 175.17 g/mol. Its IUPAC name is butan-2-yl(2-cyanoethoxy)phosphinous acid.

Molecular Properties

Compound Namebutan-2-yl(2-cyanoethoxy)phosphinous acid
PubChem CID90918248
Molecular FormulaC7H14NO2P
Molecular Weight175.17 g/mol
Exact Mass175.08
IUPAC Namebutan-2-yl(2-cyanoethoxy)phosphinous acid
SMILESCCC(C)P(O)OCCC#N
InChIInChI=1S/C7H14NO2P/c1-3-7(2)11(9)10-6-4-5-8/h7,9H,3-4,6H2,1-2H3
InChIKeyIRFJDZOWPKLJIZ-UHFFFAOYSA-N
XLogP2.02
TPSA53.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.17
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of butan-2-yl(2-cyanoethoxy)phosphinous acid?
The IUPAC name of butan-2-yl(2-cyanoethoxy)phosphinous acid (CID 90918248) is butan-2-yl(2-cyanoethoxy)phosphinous acid.
What is the SMILES notation for butan-2-yl(2-cyanoethoxy)phosphinous acid?
The canonical SMILES for butan-2-yl(2-cyanoethoxy)phosphinous acid is CCC(C)P(O)OCCC#N.
What is the InChIKey of butan-2-yl(2-cyanoethoxy)phosphinous acid?
The InChIKey is IRFJDZOWPKLJIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14NO2P/c1-3-7(2)11(9)10-6-4-5-8/h7,9H,3-4,6H2,1-2H3.
What are the key properties of butan-2-yl(2-cyanoethoxy)phosphinous acid?
butan-2-yl(2-cyanoethoxy)phosphinous acid has a molecular weight of 175.17 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-yl(2-cyanoethoxy)phosphinous acid is sourced from PubChem (CID 90918248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).