sodium butyl decyl phosphate

C14H30NaO4P — CID 174997110

IUPACsodium butyl decyl phosphate
SMILESCCCCCCCCCCOP(=O)([O-])OCCCC.[Na+]
InChIInChI=1S/C14H31O4P.Na/c1-3-5-7-8-9-10-11-12-14-18-19(15,16)17-13-6-4-2;/h3-14H2,1-2H3,(H,15,16);/q;+1/p-1
InChIKeyVGGAXPFYLBZSOA-UHFFFAOYSA-M
MW316.35 g/mol
LogP1.43
Rot. Bonds14

About sodium butyl decyl phosphate

sodium butyl decyl phosphate (PubChem CID 174997110) has the molecular formula C14H30NaO4P and a molecular weight of 316.35 g/mol. Its IUPAC name is sodium butyl decyl phosphate.

Molecular Properties

Compound Namesodium butyl decyl phosphate
PubChem CID174997110
Molecular FormulaC14H30NaO4P
Molecular Weight316.35 g/mol
Exact Mass316.18
IUPAC Namesodium butyl decyl phosphate
SMILESCCCCCCCCCCOP(=O)([O-])OCCCC.[Na+]
InChIInChI=1S/C14H31O4P.Na/c1-3-5-7-8-9-10-11-12-14-18-19(15,16)17-13-6-4-2;/h3-14H2,1-2H3,(H,15,16);/q;+1/p-1
InChIKeyVGGAXPFYLBZSOA-UHFFFAOYSA-M
XLogP1.43
TPSA58.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.35
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

disodium bis(dioctadecyl phosphate)
CID 172826116
diicosyl phosphate
CID 21219883
chromium(2+);dihexyl phosphate
CID 18626712
beryllium bis(dihexadecyl phosphate)
CID 102241208
2-[decoxy(oxido)phosphoryl]oxyethyl decyl phosphate
CID 102130313
azanium didecyl phosphate
CID 157179907
zinc bis(dinonyl phosphate)
CID 87237924
potassium dodecyl octyl phosphate
CID 175269895
calcium bis(dihexyl phosphate)
CID 159957382
bis(dioctyl phosphate);oxotitanium(2+)
CID 139722402
dipentyl phosphate;nickel(2+)
CID 22743882
ethyl hexyl phosphate
CID 22057005

Frequently Asked Questions

What is the IUPAC name of sodium butyl decyl phosphate?
The IUPAC name of sodium butyl decyl phosphate (CID 174997110) is sodium butyl decyl phosphate.
What is the SMILES notation for sodium butyl decyl phosphate?
The canonical SMILES for sodium butyl decyl phosphate is CCCCCCCCCCOP(=O)([O-])OCCCC.[Na+].
What is the InChIKey of sodium butyl decyl phosphate?
The InChIKey is VGGAXPFYLBZSOA-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H31O4P.Na/c1-3-5-7-8-9-10-11-12-14-18-19(15,16)17-13-6-4-2;/h3-14H2,1-2H3,(H,15,16);/q;+1/p-1.
What are the key properties of sodium butyl decyl phosphate?
sodium butyl decyl phosphate has a molecular weight of 316.35 g/mol, XLogP of 1.43, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium butyl decyl phosphate is sourced from PubChem (CID 174997110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).