dodecyl phosphono tetradecyl phosphate

C26H56O7P2 — CID 175243600

IUPACdodecyl phosphono tetradecyl phosphate
SMILESCCCCCCCCCCCCCCOP(=O)(OCCCCCCCCCCCC)OP(=O)(O)O
InChIInChI=1S/C26H56O7P2/c1-3-5-7-9-11-13-15-16-18-20-22-24-26-32-35(30,33-34(27,28)29)31-25-23-21-19-17-14-12-10-8-6-4-2/h3-26H2,1-2H3,(H2,27,28,29)
InChIKeyUDUCLTVBZLXYRY-UHFFFAOYSA-N
MW542.68 g/mol
LogP9.86
Rot. Bonds28

About dodecyl phosphono tetradecyl phosphate

dodecyl phosphono tetradecyl phosphate (PubChem CID 175243600) has the molecular formula C26H56O7P2 and a molecular weight of 542.68 g/mol. Its IUPAC name is dodecyl phosphono tetradecyl phosphate.

Molecular Properties

Compound Namedodecyl phosphono tetradecyl phosphate
PubChem CID175243600
Molecular FormulaC26H56O7P2
Molecular Weight542.68 g/mol
Exact Mass542.35
IUPAC Namedodecyl phosphono tetradecyl phosphate
SMILESCCCCCCCCCCCCCCOP(=O)(OCCCCCCCCCCCC)OP(=O)(O)O
InChIInChI=1S/C26H56O7P2/c1-3-5-7-9-11-13-15-16-18-20-22-24-26-32-35(30,33-34(27,28)29)31-25-23-21-19-17-14-12-10-8-6-4-2/h3-26H2,1-2H3,(H2,27,28,29)
InChIKeyUDUCLTVBZLXYRY-UHFFFAOYSA-N
XLogP9.86
TPSA102.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds28
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.68
LogP ≤ 59.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

dihexyl phosphono phosphate
CID 87086295
heptyl nonyl phosphono phosphate
CID 174822042
potassium;didodecyl phosphono phosphate;hydride
CID 175169291
ethanol;hexadecyl dihydrogen phosphate
CID 174523308
octatriacontyl dihydrogen phosphate
CID 140979287
heptyl dihydrogen phosphate;octyl dihydrogen phosphate
CID 160757103
pentatriacontyl dihydrogen phosphate
CID 164897229
hexadecyl dihydrogen phosphate;tetradecyl dihydrogen phosphate
CID 159430233
dodecyl dioctyl phosphate
CID 57134013
diheptyl hexyl phosphate
CID 175578950
2-phenoxyethyl phosphono tetradecyl phosphate
CID 174879807
iron;octadecyl dihydrogen phosphate
CID 175059517

Frequently Asked Questions

What is the IUPAC name of dodecyl phosphono tetradecyl phosphate?
The IUPAC name of dodecyl phosphono tetradecyl phosphate (CID 175243600) is dodecyl phosphono tetradecyl phosphate.
What is the SMILES notation for dodecyl phosphono tetradecyl phosphate?
The canonical SMILES for dodecyl phosphono tetradecyl phosphate is CCCCCCCCCCCCCCOP(=O)(OCCCCCCCCCCCC)OP(=O)(O)O.
What is the InChIKey of dodecyl phosphono tetradecyl phosphate?
The InChIKey is UDUCLTVBZLXYRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H56O7P2/c1-3-5-7-9-11-13-15-16-18-20-22-24-26-32-35(30,33-34(27,28)29)31-25-23-21-19-17-14-12-10-8-6-4-2/h3-26H2,1-2H3,(H2,27,28,29).
What are the key properties of dodecyl phosphono tetradecyl phosphate?
dodecyl phosphono tetradecyl phosphate has a molecular weight of 542.68 g/mol, XLogP of 9.86, 28 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dodecyl phosphono tetradecyl phosphate is sourced from PubChem (CID 175243600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).