hexadecyl dihydrogen phosphate

C16H35O4P — CID 19059

IUPAChexadecyl dihydrogen phosphate
SMILESCCCCCCCCCCCCCCCCOP(=O)(O)O
InChIInChI=1S/C16H35O4P/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)
InChIKeyZUVCYFMOHFTGDM-UHFFFAOYSA-N
MW322.43 g/mol
LogP5.58
Rot. Bonds16

About hexadecyl dihydrogen phosphate

hexadecyl dihydrogen phosphate (PubChem CID 19059) has the molecular formula C16H35O4P and a molecular weight of 322.43 g/mol. Its IUPAC name is hexadecyl dihydrogen phosphate.

Molecular Properties

Compound Namehexadecyl dihydrogen phosphate
PubChem CID19059
Molecular FormulaC16H35O4P
Molecular Weight322.43 g/mol
Exact Mass322.23
IUPAC Namehexadecyl dihydrogen phosphate
SMILESCCCCCCCCCCCCCCCCOP(=O)(O)O
InChIInChI=1S/C16H35O4P/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)
InChIKeyZUVCYFMOHFTGDM-UHFFFAOYSA-N
XLogP5.58
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.43
LogP ≤ 55.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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
Trilauryl phosphite
CID 76495
Dicetyl Phosphate
CID 75143
Decyl phosphate
CID 62532
Dodecylphosphate
CID 1550836
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 hexadecyl dihydrogen phosphate?
The IUPAC name of hexadecyl dihydrogen phosphate (CID 19059) is hexadecyl dihydrogen phosphate.
What is the SMILES notation for hexadecyl dihydrogen phosphate?
The canonical SMILES for hexadecyl dihydrogen phosphate is CCCCCCCCCCCCCCCCOP(=O)(O)O.
What is the InChIKey of hexadecyl dihydrogen phosphate?
The InChIKey is ZUVCYFMOHFTGDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35O4P/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).
What are the key properties of hexadecyl dihydrogen phosphate?
hexadecyl dihydrogen phosphate has a molecular weight of 322.43 g/mol, XLogP of 5.58, 16 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hexadecyl dihydrogen phosphate is sourced from PubChem (CID 19059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).