sodium propan-2-yl phosphite

C3H7NaO3P- — CID 21332940

IUPACsodium propan-2-yl phosphite
SMILESCC(C)OP([O-])[O-].[Na+]
InChIInChI=1S/C3H7O3P.Na/c1-3(2)6-7(4)5;/h3H,1-2H3;/q-2;+1
InChIKeyIRKLMGSPVVJRLG-UHFFFAOYSA-N
MW145.05 g/mol
LogP-3.64
Rot. Bonds2

About sodium propan-2-yl phosphite

sodium propan-2-yl phosphite (PubChem CID 21332940) has the molecular formula C3H7NaO3P- and a molecular weight of 145.05 g/mol. Its IUPAC name is sodium propan-2-yl phosphite.

Molecular Properties

Compound Namesodium propan-2-yl phosphite
PubChem CID21332940
Molecular FormulaC3H7NaO3P-
Molecular Weight145.05 g/mol
Exact Mass145.00
IUPAC Namesodium propan-2-yl phosphite
SMILESCC(C)OP([O-])[O-].[Na+]
InChIInChI=1S/C3H7O3P.Na/c1-3(2)6-7(4)5;/h3H,1-2H3;/q-2;+1
InChIKeyIRKLMGSPVVJRLG-UHFFFAOYSA-N
XLogP-3.64
TPSA55.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.05
LogP ≤ 5-3.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl(propan-2-yloxy)phosphinite
CID 18981685
propan-2-yl hydrogen phosphite
CID 20501230
bis[di(propan-2-yl)amino]methyl phosphite
CID 131729699
cobalt;tripropan-2-yl phosphite
CID 175896800
propan-2-yloxy(propyl)phosphinite
CID 18981653
zinc pentan-2-yl phosphite
CID 175309079
diiodo(propan-2-yloxy)phosphane
CID 12507744
bromo-di(propan-2-yloxy)phosphane
CID 13223651
di(propan-2-yloxy)-propylphosphane
CID 57116062
tert-butyl-di(propan-2-yloxy)phosphane
CID 12929625
2-methylpropyl-di(propan-2-yloxy)phosphane
CID 174289830
di(propan-2-yloxy)-(trifluoromethyl)phosphane
CID 12886128

Frequently Asked Questions

What is the IUPAC name of sodium propan-2-yl phosphite?
The IUPAC name of sodium propan-2-yl phosphite (CID 21332940) is sodium propan-2-yl phosphite.
What is the SMILES notation for sodium propan-2-yl phosphite?
The canonical SMILES for sodium propan-2-yl phosphite is CC(C)OP([O-])[O-].[Na+].
What is the InChIKey of sodium propan-2-yl phosphite?
The InChIKey is IRKLMGSPVVJRLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7O3P.Na/c1-3(2)6-7(4)5;/h3H,1-2H3;/q-2;+1.
What are the key properties of sodium propan-2-yl phosphite?
sodium propan-2-yl phosphite has a molecular weight of 145.05 g/mol, XLogP of -3.64, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium propan-2-yl phosphite is sourced from PubChem (CID 21332940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).