bis(2-cyanoethyl) hydrogen phosphite

C6H9N2O3P — CID 11652393

IUPACbis(2-cyanoethyl) hydrogen phosphite
SMILESN#CCCOP(O)OCCC#N
InChIInChI=1S/C6H9N2O3P/c7-3-1-5-10-12(9)11-6-2-4-8/h9H,1-2,5-6H2
InChIKeyDWISNYLUFCHIKU-UHFFFAOYSA-N
MW188.12 g/mol
LogP1.07
Rot. Bonds6

About bis(2-cyanoethyl) hydrogen phosphite

bis(2-cyanoethyl) hydrogen phosphite (PubChem CID 11652393) has the molecular formula C6H9N2O3P and a molecular weight of 188.12 g/mol. Its IUPAC name is bis(2-cyanoethyl) hydrogen phosphite.

Molecular Properties

Compound Namebis(2-cyanoethyl) hydrogen phosphite
PubChem CID11652393
Molecular FormulaC6H9N2O3P
Molecular Weight188.12 g/mol
Exact Mass188.04
IUPAC Namebis(2-cyanoethyl) hydrogen phosphite
SMILESN#CCCOP(O)OCCC#N
InChIInChI=1S/C6H9N2O3P/c7-3-1-5-10-12(9)11-6-2-4-8/h9H,1-2,5-6H2
InChIKeyDWISNYLUFCHIKU-UHFFFAOYSA-N
XLogP1.07
TPSA86.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.12
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 bis(2-cyanoethyl) hydrogen phosphite?
The IUPAC name of bis(2-cyanoethyl) hydrogen phosphite (CID 11652393) is bis(2-cyanoethyl) hydrogen phosphite.
What is the SMILES notation for bis(2-cyanoethyl) hydrogen phosphite?
The canonical SMILES for bis(2-cyanoethyl) hydrogen phosphite is N#CCCOP(O)OCCC#N.
What is the InChIKey of bis(2-cyanoethyl) hydrogen phosphite?
The InChIKey is DWISNYLUFCHIKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N2O3P/c7-3-1-5-10-12(9)11-6-2-4-8/h9H,1-2,5-6H2.
What are the key properties of bis(2-cyanoethyl) hydrogen phosphite?
bis(2-cyanoethyl) hydrogen phosphite has a molecular weight of 188.12 g/mol, XLogP of 1.07, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-cyanoethyl) hydrogen phosphite is sourced from PubChem (CID 11652393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).