sodium dihexyl phosphite

C12H26NaO3P — CID 23686863

IUPACsodium dihexyl phosphite
SMILESCCCCCCOP([O-])OCCCCCC.[Na+]
InChIInChI=1S/C12H26O3P.Na/c1-3-5-7-9-11-14-16(13)15-12-10-8-6-4-2;/h3-12H2,1-2H3;/q-1;+1
InChIKeyVNSKKJUKPXLUEY-UHFFFAOYSA-N
MW272.30 g/mol
LogP0.77
Rot. Bonds12

About sodium dihexyl phosphite

sodium dihexyl phosphite (PubChem CID 23686863) has the molecular formula C12H26NaO3P and a molecular weight of 272.30 g/mol. Its IUPAC name is sodium dihexyl phosphite.

Molecular Properties

Compound Namesodium dihexyl phosphite
PubChem CID23686863
Molecular FormulaC12H26NaO3P
Molecular Weight272.30 g/mol
Exact Mass272.15
IUPAC Namesodium dihexyl phosphite
SMILESCCCCCCOP([O-])OCCCCCC.[Na+]
InChIInChI=1S/C12H26O3P.Na/c1-3-5-7-9-11-14-16(13)15-12-10-8-6-4-2;/h3-12H2,1-2H3;/q-1;+1
InChIKeyVNSKKJUKPXLUEY-UHFFFAOYSA-N
XLogP0.77
TPSA41.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 50.77
H-Bond Donors ≤ 50
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 sodium dihexyl phosphite?
The IUPAC name of sodium dihexyl phosphite (CID 23686863) is sodium dihexyl phosphite.
What is the SMILES notation for sodium dihexyl phosphite?
The canonical SMILES for sodium dihexyl phosphite is CCCCCCOP([O-])OCCCCCC.[Na+].
What is the InChIKey of sodium dihexyl phosphite?
The InChIKey is VNSKKJUKPXLUEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O3P.Na/c1-3-5-7-9-11-14-16(13)15-12-10-8-6-4-2;/h3-12H2,1-2H3;/q-1;+1.
What are the key properties of sodium dihexyl phosphite?
sodium dihexyl phosphite has a molecular weight of 272.30 g/mol, XLogP of 0.77, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium dihexyl phosphite is sourced from PubChem (CID 23686863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).