diethyl [(E)-non-5-en-4-yl] phosphate

C13H27O4P — CID 134891116

IUPACdiethyl [(E)-non-5-en-4-yl] phosphate
SMILESCCC/C=C/C(CCC)OP(=O)(OCC)OCC
InChIInChI=1S/C13H27O4P/c1-5-9-10-12-13(11-6-2)17-18(14,15-7-3)16-8-4/h10,12-13H,5-9,11H2,1-4H3/b12-10+
InChIKeyJEXBGPPRWYGWPR-ZRDIBKRKSA-N
MW278.33 g/mol
LogP4.71
Rot. Bonds11

About diethyl [(E)-non-5-en-4-yl] phosphate

diethyl [(E)-non-5-en-4-yl] phosphate (PubChem CID 134891116) has the molecular formula C13H27O4P and a molecular weight of 278.33 g/mol. Its IUPAC name is diethyl [(E)-non-5-en-4-yl] phosphate.

Molecular Properties

Compound Namediethyl [(E)-non-5-en-4-yl] phosphate
PubChem CID134891116
Molecular FormulaC13H27O4P
Molecular Weight278.33 g/mol
Exact Mass278.16
IUPAC Namediethyl [(E)-non-5-en-4-yl] phosphate
SMILESCCC/C=C/C(CCC)OP(=O)(OCC)OCC
InChIInChI=1S/C13H27O4P/c1-5-9-10-12-13(11-6-2)17-18(14,15-7-3)16-8-4/h10,12-13H,5-9,11H2,1-4H3/b12-10+
InChIKeyJEXBGPPRWYGWPR-ZRDIBKRKSA-N
XLogP4.71
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Phosphoric acid mono-((E)-dec-4-enyl) ester
CID 11276402
(2E,6E)-Farnesyl phosphate
CID 46926298
Geranyl monophosphate
CID 52940120
8-Ethenyl-2,9,10-trioxa-1lambda5-phosphabicyclo[4.3.1]dec-4-ene 1-oxide
CID 53240247
[(E)-dec-6-en-5-yl]oxy-oxo-(2,2,2-trifluoroethoxy)phosphanium
CID 134969378
[(E)-1,1-difluorodec-3-en-2-yl] diethyl phosphate
CID 176437754
Cyclohex-2-en-1-yl diethyl phosphate
CID 10421524
[(1R,4S)-4-diethoxyphosphoryloxycyclopent-2-en-1-yl] diethyl phosphate
CID 11428712
[(1R,4S)-4-diethoxyphosphoryloxycyclohex-2-en-1-yl] diethyl phosphate
CID 12141519
[(2E)-3,7-dimethylocta-2,6-dienyl] diethyl phosphate
CID 11066197
3,7-Dimethylocta-2,6-dien-1-YL diethyl phosphate
CID 71400420
4,8-Dimethylnona-3,7-dien-2-yl phosphono hydrogen phosphate
CID 91272571

Frequently Asked Questions

What is the IUPAC name of diethyl [(E)-non-5-en-4-yl] phosphate?
The IUPAC name of diethyl [(E)-non-5-en-4-yl] phosphate (CID 134891116) is diethyl [(E)-non-5-en-4-yl] phosphate.
What is the SMILES notation for diethyl [(E)-non-5-en-4-yl] phosphate?
The canonical SMILES for diethyl [(E)-non-5-en-4-yl] phosphate is CCC/C=C/C(CCC)OP(=O)(OCC)OCC.
What is the InChIKey of diethyl [(E)-non-5-en-4-yl] phosphate?
The InChIKey is JEXBGPPRWYGWPR-ZRDIBKRKSA-N. The full InChI is InChI=1S/C13H27O4P/c1-5-9-10-12-13(11-6-2)17-18(14,15-7-3)16-8-4/h10,12-13H,5-9,11H2,1-4H3/b12-10+.
What are the key properties of diethyl [(E)-non-5-en-4-yl] phosphate?
diethyl [(E)-non-5-en-4-yl] phosphate has a molecular weight of 278.33 g/mol, XLogP of 4.71, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl [(E)-non-5-en-4-yl] phosphate is sourced from PubChem (CID 134891116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).