hexadecyl dihydrogen phosphate;tetradecyl dihydrogen phosphate

C30H66O8P2 — CID 159430233

IUPAChexadecyl dihydrogen phosphate;tetradecyl dihydrogen phosphate
SMILESCCCCCCCCCCCCCCCCOP(=O)(O)O.CCCCCCCCCCCCCCOP(=O)(O)O
InChIInChI=1S/C16H35O4P.C14H31O4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-21(17,18)19;1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-19(15,16)17/h2-16H2,1H3,(H2,17,18,19);2-14H2,1H3,(H2,15,16,17)
InChIKeyLQWUZLLVFIYUAB-UHFFFAOYSA-N
MW616.80 g/mol
LogP10.37
Rot. Bonds30

About hexadecyl dihydrogen phosphate;tetradecyl dihydrogen phosphate

hexadecyl dihydrogen phosphate;tetradecyl dihydrogen phosphate (PubChem CID 159430233) has the molecular formula C30H66O8P2 and a molecular weight of 616.80 g/mol. Its IUPAC name is hexadecyl dihydrogen phosphate;tetradecyl dihydrogen phosphate.

Molecular Properties

Compound Namehexadecyl dihydrogen phosphate;tetradecyl dihydrogen phosphate
PubChem CID159430233
Molecular FormulaC30H66O8P2
Molecular Weight616.80 g/mol
Exact Mass616.42
IUPAC Namehexadecyl dihydrogen phosphate;tetradecyl dihydrogen phosphate
SMILESCCCCCCCCCCCCCCCCOP(=O)(O)O.CCCCCCCCCCCCCCOP(=O)(O)O
InChIInChI=1S/C16H35O4P.C14H31O4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-21(17,18)19;1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-19(15,16)17/h2-16H2,1H3,(H2,17,18,19);2-14H2,1H3,(H2,15,16,17)
InChIKeyLQWUZLLVFIYUAB-UHFFFAOYSA-N
XLogP10.37
TPSA133.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds30
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500616.80
LogP ≤ 510.37
H-Bond Donors ≤ 54
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

octatriacontyl dihydrogen phosphate
CID 140979287
heptyl dihydrogen phosphate;octyl dihydrogen phosphate
CID 160757103
pentatriacontyl dihydrogen phosphate
CID 164897229
CID 170843971
CID 170843971
iron;octadecyl dihydrogen phosphate
CID 175059517
hexyl dihydrogen phosphate;neodymium
CID 174801976
dodecyl dihydrogen phosphate;indigane
CID 173026750
azane;octadecyl dihydrogen phosphate
CID 87905459
CID 170842594
CID 170842594
alumane;tridecyl dihydrogen phosphate
CID 173322009
ethanol;hexadecyl dihydrogen phosphate
CID 174523308
sodium;hydride;tetradecyl dihydrogen phosphate
CID 173022959

Frequently Asked Questions

What is the IUPAC name of hexadecyl dihydrogen phosphate;tetradecyl dihydrogen phosphate?
The IUPAC name of hexadecyl dihydrogen phosphate;tetradecyl dihydrogen phosphate (CID 159430233) is hexadecyl dihydrogen phosphate;tetradecyl dihydrogen phosphate.
What is the SMILES notation for hexadecyl dihydrogen phosphate;tetradecyl dihydrogen phosphate?
The canonical SMILES for hexadecyl dihydrogen phosphate;tetradecyl dihydrogen phosphate is CCCCCCCCCCCCCCCCOP(=O)(O)O.CCCCCCCCCCCCCCOP(=O)(O)O.
What is the InChIKey of hexadecyl dihydrogen phosphate;tetradecyl dihydrogen phosphate?
The InChIKey is LQWUZLLVFIYUAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35O4P.C14H31O4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-21(17,18)19;1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-19(15,16)17/h2-16H2,1H3,(H2,17,18,19);2-14H2,1H3,(H2,15,16,17).
What are the key properties of hexadecyl dihydrogen phosphate;tetradecyl dihydrogen phosphate?
hexadecyl dihydrogen phosphate;tetradecyl dihydrogen phosphate has a molecular weight of 616.80 g/mol, XLogP of 10.37, 30 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for hexadecyl dihydrogen phosphate;tetradecyl dihydrogen phosphate is sourced from PubChem (CID 159430233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).