sodium didodecyl phosphite

C24H50NaO3P — CID 23710886

IUPACsodium didodecyl phosphite
SMILESCCCCCCCCCCCCOP([O-])OCCCCCCCCCCCC.[Na+]
InChIInChI=1S/C24H50O3P.Na/c1-3-5-7-9-11-13-15-17-19-21-23-26-28(25)27-24-22-20-18-16-14-12-10-8-6-4-2;/h3-24H2,1-2H3;/q-1;+1
InChIKeyVUMPVOVXNTXFKF-UHFFFAOYSA-N
MW440.63 g/mol
LogP5.45
Rot. Bonds24

About sodium didodecyl phosphite

sodium didodecyl phosphite (PubChem CID 23710886) has the molecular formula C24H50NaO3P and a molecular weight of 440.63 g/mol. Its IUPAC name is sodium didodecyl phosphite.

Molecular Properties

Compound Namesodium didodecyl phosphite
PubChem CID23710886
Molecular FormulaC24H50NaO3P
Molecular Weight440.63 g/mol
Exact Mass440.34
IUPAC Namesodium didodecyl phosphite
SMILESCCCCCCCCCCCCOP([O-])OCCCCCCCCCCCC.[Na+]
InChIInChI=1S/C24H50O3P.Na/c1-3-5-7-9-11-13-15-17-19-21-23-26-28(25)27-24-22-20-18-16-14-12-10-8-6-4-2;/h3-24H2,1-2H3;/q-1;+1
InChIKeyVUMPVOVXNTXFKF-UHFFFAOYSA-N
XLogP5.45
TPSA41.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds24
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.63
LogP ≤ 55.45
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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Related Compounds

tetrakis(ditridecyl phosphite);titanium(4+)
CID 160640114
lithium dioctyl phosphite
CID 174541245
disodium;hexyl phosphite
CID 139691830
didecyl hydrogen phosphite
CID 14151265
triheptadecyl phosphite
CID 23435031
butyl methyl phosphite
CID 21328235
bis(ditridecyl phosphite);hydron;tris(2-methylprop-2-en-1-olate);propan-2-olate;titanium(4+)
CID 165361150
propyl tetradecyl hydrogen phosphite
CID 121403997
tris(dipropyl phosphite);indium(3+)
CID 23460130
chloro(didodecoxy)phosphane
CID 54405346
diethyl(hexoxy)phosphane
CID 87283104
decoxy(octoxy)phosphinothious acid
CID 54152589

Frequently Asked Questions

What is the IUPAC name of sodium didodecyl phosphite?
The IUPAC name of sodium didodecyl phosphite (CID 23710886) is sodium didodecyl phosphite.
What is the SMILES notation for sodium didodecyl phosphite?
The canonical SMILES for sodium didodecyl phosphite is CCCCCCCCCCCCOP([O-])OCCCCCCCCCCCC.[Na+].
What is the InChIKey of sodium didodecyl phosphite?
The InChIKey is VUMPVOVXNTXFKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H50O3P.Na/c1-3-5-7-9-11-13-15-17-19-21-23-26-28(25)27-24-22-20-18-16-14-12-10-8-6-4-2;/h3-24H2,1-2H3;/q-1;+1.
What are the key properties of sodium didodecyl phosphite?
sodium didodecyl phosphite has a molecular weight of 440.63 g/mol, XLogP of 5.45, 24 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium didodecyl phosphite is sourced from PubChem (CID 23710886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).