[(E)-dec-2-enyl] diethyl phosphate

C14H29O4P — CID 11197103

IUPAC[(E)-dec-2-enyl] diethyl phosphate
SMILESCCCCCCC/C=C/COP(=O)(OCC)OCC
InChIInChI=1S/C14H29O4P/c1-4-7-8-9-10-11-12-13-14-18-19(15,16-5-2)17-6-3/h12-13H,4-11,14H2,1-3H3/b13-12+
InChIKeyNDWHPUKQRMTSFQ-OUKQBFOZSA-N
MW292.36 g/mol
LogP5.10
Rot. Bonds13

About [(E)-dec-2-enyl] diethyl phosphate

[(E)-dec-2-enyl] diethyl phosphate (PubChem CID 11197103) has the molecular formula C14H29O4P and a molecular weight of 292.36 g/mol. Its IUPAC name is [(E)-dec-2-enyl] diethyl phosphate.

Molecular Properties

Compound Name[(E)-dec-2-enyl] diethyl phosphate
PubChem CID11197103
Molecular FormulaC14H29O4P
Molecular Weight292.36 g/mol
Exact Mass292.18
IUPAC Name[(E)-dec-2-enyl] diethyl phosphate
SMILESCCCCCCC/C=C/COP(=O)(OCC)OCC
InChIInChI=1S/C14H29O4P/c1-4-7-8-9-10-11-12-13-14-18-19(15,16-5-2)17-6-3/h12-13H,4-11,14H2,1-3H3/b13-12+
InChIKeyNDWHPUKQRMTSFQ-OUKQBFOZSA-N
XLogP5.10
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.36
LogP ≤ 55.10
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

Phosphoric acid mono-((E)-tetradec-9-enyl) ester
CID 11197104
Phosphoric acid mono-((E)-dodec-9-enyl) ester
CID 11219269
Phosphoric acid mono-((E)-dec-4-enyl) ester
CID 11276402
Phosphoric acid mono-((E)-tetradec-11-enyl) ester
CID 11312382
(2E,6E)-Farnesyl phosphate
CID 46926298
[(2Z,6E)-7,11-dimethyl-3-prop-2-enyldodeca-2,6,10-trienyl] phosphono hydrogen phosphate
CID 10294864
[(2Z,6E)-7,11-dimethyl-3-prop-2-enyldodeca-2,6,10-trienyl] dihydrogen phosphate
CID 16736585
Geranyl monophosphate
CID 52940120
[(E)-3-methyltetradec-2-enyl] phosphono hydrogen phosphate
CID 127048780
[(E)-3-methylhexadec-2-enyl] phosphono hydrogen phosphate
CID 127049366
[(2E,6E)-3,7-dimethyltrideca-2,6-dienyl] phosphono hydrogen phosphate
CID 127049367
[(2E,6E)-3,7-dimethyltetradeca-2,6-dienyl] phosphono hydrogen phosphate
CID 127049368

Frequently Asked Questions

What is the IUPAC name of [(E)-dec-2-enyl] diethyl phosphate?
The IUPAC name of [(E)-dec-2-enyl] diethyl phosphate (CID 11197103) is [(E)-dec-2-enyl] diethyl phosphate.
What is the SMILES notation for [(E)-dec-2-enyl] diethyl phosphate?
The canonical SMILES for [(E)-dec-2-enyl] diethyl phosphate is CCCCCCC/C=C/COP(=O)(OCC)OCC.
What is the InChIKey of [(E)-dec-2-enyl] diethyl phosphate?
The InChIKey is NDWHPUKQRMTSFQ-OUKQBFOZSA-N. The full InChI is InChI=1S/C14H29O4P/c1-4-7-8-9-10-11-12-13-14-18-19(15,16-5-2)17-6-3/h12-13H,4-11,14H2,1-3H3/b13-12+.
What are the key properties of [(E)-dec-2-enyl] diethyl phosphate?
[(E)-dec-2-enyl] diethyl phosphate has a molecular weight of 292.36 g/mol, XLogP of 5.10, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-dec-2-enyl] diethyl phosphate is sourced from PubChem (CID 11197103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).