potassium hexadecyl hydrogen phosphate

C16H34KO4P — CID 23672321

IUPACpotassium hexadecyl hydrogen phosphate
SMILESCCCCCCCCCCCCCCCCOP(=O)([O-])O.[K+]
InChIInChI=1S/C16H35O4P.K/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-21(17,18)19;/h2-16H2,1H3,(H2,17,18,19);/q;+1/p-1
InChIKeyRMGVATURDVPNOZ-UHFFFAOYSA-M
MW360.52 g/mol
LogP1.95
Rot. Bonds16

About potassium hexadecyl hydrogen phosphate

potassium hexadecyl hydrogen phosphate (PubChem CID 23672321) has the molecular formula C16H34KO4P and a molecular weight of 360.52 g/mol. Its IUPAC name is potassium hexadecyl hydrogen phosphate.

Molecular Properties

Compound Namepotassium hexadecyl hydrogen phosphate
PubChem CID23672321
Molecular FormulaC16H34KO4P
Molecular Weight360.52 g/mol
Exact Mass360.18
IUPAC Namepotassium hexadecyl hydrogen phosphate
SMILESCCCCCCCCCCCCCCCCOP(=O)([O-])O.[K+]
InChIInChI=1S/C16H35O4P.K/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-21(17,18)19;/h2-16H2,1H3,(H2,17,18,19);/q;+1/p-1
InChIKeyRMGVATURDVPNOZ-UHFFFAOYSA-M
XLogP1.95
TPSA69.59 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.52
LogP ≤ 51.95
H-Bond Donors ≤ 51
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

Lauryl Phosphate
CID 75816
Myristyl Phosphate
CID 82327
Dicetyl Phosphate
CID 75143
Decyl phosphate
CID 62532
Dodecylphosphate
CID 1550836
Hexadecyl phosphate
CID 19059
Monotridecyl phosphate
CID 82161
Dioctyl phosphonate
CID 6328721
Potassium Lauryl Phosphate
CID 11970398
Poly(oxy-1,2-ethanediyl), alpha-octadecyl-omega-hydroxy-, phosphate
CID 13783981
Didodecyl phosphate
CID 23467
Phosphoric acid, trihexyl ester
CID 75666

Frequently Asked Questions

What is the IUPAC name of potassium hexadecyl hydrogen phosphate?
The IUPAC name of potassium hexadecyl hydrogen phosphate (CID 23672321) is potassium hexadecyl hydrogen phosphate.
What is the SMILES notation for potassium hexadecyl hydrogen phosphate?
The canonical SMILES for potassium hexadecyl hydrogen phosphate is CCCCCCCCCCCCCCCCOP(=O)([O-])O.[K+].
What is the InChIKey of potassium hexadecyl hydrogen phosphate?
The InChIKey is RMGVATURDVPNOZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H35O4P.K/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-21(17,18)19;/h2-16H2,1H3,(H2,17,18,19);/q;+1/p-1.
What are the key properties of potassium hexadecyl hydrogen phosphate?
potassium hexadecyl hydrogen phosphate has a molecular weight of 360.52 g/mol, XLogP of 1.95, 16 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium hexadecyl hydrogen phosphate is sourced from PubChem (CID 23672321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).