sodium octoxy(octyl)phosphinate

C16H34NaO3P — CID 139819934

IUPACsodium octoxy(octyl)phosphinate
SMILESCCCCCCCCOP(=O)([O-])CCCCCCCC.[Na+]
InChIInChI=1S/C16H35O3P.Na/c1-3-5-7-9-11-13-15-19-20(17,18)16-14-12-10-8-6-4-2;/h3-16H2,1-2H3,(H,17,18);/q;+1/p-1
InChIKeyPJNCLNKRVXQNKE-UHFFFAOYSA-M
MW328.41 g/mol
LogP2.28
Rot. Bonds15

About sodium octoxy(octyl)phosphinate

sodium octoxy(octyl)phosphinate (PubChem CID 139819934) has the molecular formula C16H34NaO3P and a molecular weight of 328.41 g/mol. Its IUPAC name is sodium octoxy(octyl)phosphinate.

Molecular Properties

Compound Namesodium octoxy(octyl)phosphinate
PubChem CID139819934
Molecular FormulaC16H34NaO3P
Molecular Weight328.41 g/mol
Exact Mass328.21
IUPAC Namesodium octoxy(octyl)phosphinate
SMILESCCCCCCCCOP(=O)([O-])CCCCCCCC.[Na+]
InChIInChI=1S/C16H35O3P.Na/c1-3-5-7-9-11-13-15-19-20(17,18)16-14-12-10-8-6-4-2;/h3-16H2,1-2H3,(H,17,18);/q;+1/p-1
InChIKeyPJNCLNKRVXQNKE-UHFFFAOYSA-M
XLogP2.28
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 52.28
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'}

Analyze sodium octoxy(octyl)phosphinate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

hexoxy(hexyl)phosphinate;iron(2+)
CID 87602875
hexoxy(hexyl)phosphinate;nickel(2+)
CID 87135978
cobalt(3+);hexoxy(hexyl)phosphinate
CID 140747230
sodium ethoxy(tridecyl)phosphinate
CID 90661205
2-hydroxyethoxy(tetradecyl)phosphinate
CID 71443061
dilithium;tridecyl phosphate
CID 159999815
dilithium;tetradecyl phosphate
CID 139820221
calcium dotriacontyl phosphate
CID 164901019
aluminum nonyl phosphate
CID 19089706
disodium bis(dioctadecyl phosphate)
CID 172826116
disodium;zinc;bis(hexadecyl phosphate)
CID 71736811
calcium tetradecyl phosphate
CID 172742428

Frequently Asked Questions

What is the IUPAC name of sodium octoxy(octyl)phosphinate?
The IUPAC name of sodium octoxy(octyl)phosphinate (CID 139819934) is sodium octoxy(octyl)phosphinate.
What is the SMILES notation for sodium octoxy(octyl)phosphinate?
The canonical SMILES for sodium octoxy(octyl)phosphinate is CCCCCCCCOP(=O)([O-])CCCCCCCC.[Na+].
What is the InChIKey of sodium octoxy(octyl)phosphinate?
The InChIKey is PJNCLNKRVXQNKE-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H35O3P.Na/c1-3-5-7-9-11-13-15-19-20(17,18)16-14-12-10-8-6-4-2;/h3-16H2,1-2H3,(H,17,18);/q;+1/p-1.
What are the key properties of sodium octoxy(octyl)phosphinate?
sodium octoxy(octyl)phosphinate has a molecular weight of 328.41 g/mol, XLogP of 2.28, 15 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium octoxy(octyl)phosphinate is sourced from PubChem (CID 139819934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).