[(Z)-octadec-9-enyl] phosphate

C18H35O4P-2 — CID 20838602

IUPAC[(Z)-octadec-9-enyl] phosphate
SMILESCCCCCCCC/C=C\CCCCCCCCOP(=O)([O-])[O-]
InChIInChI=1S/C18H37O4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-23(19,20)21/h9-10H,2-8,11-18H2,1H3,(H2,19,20,21)/p-2/b10-9-
InChIKeyMEESPVWIOBCLJW-KTKRTIGZSA-L
MW346.45 g/mol
LogP4.87
Rot. Bonds17

About [(Z)-octadec-9-enyl] phosphate

[(Z)-octadec-9-enyl] phosphate (PubChem CID 20838602) has the molecular formula C18H35O4P-2 and a molecular weight of 346.45 g/mol. Its IUPAC name is [(Z)-octadec-9-enyl] phosphate.

Molecular Properties

Compound Name[(Z)-octadec-9-enyl] phosphate
PubChem CID20838602
Molecular FormulaC18H35O4P-2
Molecular Weight346.45 g/mol
Exact Mass346.23
IUPAC Name[(Z)-octadec-9-enyl] phosphate
SMILESCCCCCCCC/C=C\CCCCCCCCOP(=O)([O-])[O-]
InChIInChI=1S/C18H37O4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-23(19,20)21/h9-10H,2-8,11-18H2,1H3,(H2,19,20,21)/p-2/b10-9-
InChIKeyMEESPVWIOBCLJW-KTKRTIGZSA-L
XLogP4.87
TPSA72.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

Oleyl Phosphate
CID 6435865
Dioleyl Phosphate
CID 6436414
Trioleyl Phosphate
CID 6436723
Phosphoric acid mono-((E)-tetradec-9-enyl) ester
CID 11197104
Thiophosphoric acid (E)-dodec-9-enyl ester
CID 11208266
Phosphoric acid mono-((E)-dodec-9-enyl) ester
CID 11219269
Thiophosphoric acid (E)-tetradec-9-enyl ester
CID 11220562
Phosphoric acid mono-((E)-tetradec-11-enyl) ester
CID 11312382
Phosphoric acid monodec-9-enyl ester
CID 11447695
Methyl arachidonyl fluorophosphonate
CID 25021170
Disodium Oleyl Phosphate
CID 87093817
Oleyl ether phosphate (acid)
CID 6436357

Frequently Asked Questions

What is the IUPAC name of [(Z)-octadec-9-enyl] phosphate?
The IUPAC name of [(Z)-octadec-9-enyl] phosphate (CID 20838602) is [(Z)-octadec-9-enyl] phosphate.
What is the SMILES notation for [(Z)-octadec-9-enyl] phosphate?
The canonical SMILES for [(Z)-octadec-9-enyl] phosphate is CCCCCCCC/C=C\CCCCCCCCOP(=O)([O-])[O-].
What is the InChIKey of [(Z)-octadec-9-enyl] phosphate?
The InChIKey is MEESPVWIOBCLJW-KTKRTIGZSA-L. The full InChI is InChI=1S/C18H37O4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-23(19,20)21/h9-10H,2-8,11-18H2,1H3,(H2,19,20,21)/p-2/b10-9-.
What are the key properties of [(Z)-octadec-9-enyl] phosphate?
[(Z)-octadec-9-enyl] phosphate has a molecular weight of 346.45 g/mol, XLogP of 4.87, 17 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-octadec-9-enyl] phosphate is sourced from PubChem (CID 20838602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).