diethyl [(E,4R)-oct-2-en-4-yl] phosphate

C12H25O4P — CID 11032737

IUPACdiethyl [(E,4R)-oct-2-en-4-yl] phosphate
SMILESC/C=C/[C@@H](CCCC)OP(=O)(OCC)OCC
InChIInChI=1S/C12H25O4P/c1-5-9-11-12(10-6-2)16-17(13,14-7-3)15-8-4/h6,10,12H,5,7-9,11H2,1-4H3/b10-6+/t12-/m0/s1
InChIKeyIJPZNOFZUGRMAA-JXPAYYINSA-N
MW264.30 g/mol
LogP4.32
Rot. Bonds10

About diethyl [(E,4R)-oct-2-en-4-yl] phosphate

diethyl [(E,4R)-oct-2-en-4-yl] phosphate (PubChem CID 11032737) has the molecular formula C12H25O4P and a molecular weight of 264.30 g/mol. Its IUPAC name is diethyl [(E,4R)-oct-2-en-4-yl] phosphate.

Molecular Properties

Compound Namediethyl [(E,4R)-oct-2-en-4-yl] phosphate
PubChem CID11032737
Molecular FormulaC12H25O4P
Molecular Weight264.30 g/mol
Exact Mass264.15
IUPAC Namediethyl [(E,4R)-oct-2-en-4-yl] phosphate
SMILESC/C=C/[C@@H](CCCC)OP(=O)(OCC)OCC
InChIInChI=1S/C12H25O4P/c1-5-9-11-12(10-6-2)16-17(13,14-7-3)15-8-4/h6,10,12H,5,7-9,11H2,1-4H3/b10-6+/t12-/m0/s1
InChIKeyIJPZNOFZUGRMAA-JXPAYYINSA-N
XLogP4.32
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 54.32
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
1-Cyclohexen-1-yl diethyl phosphate
CID 78196
[(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
[(1R,4S)-4-diethoxyphosphoryloxycyclohept-2-en-1-yl] diethyl phosphate
CID 12141520
Methoxy arachidonyl phosphonate
CID 129856656
diethyl [(E,3R)-2-methylhex-4-en-3-yl] phosphate
CID 10988693
diethyl [(E,4R)-5-ethylhept-2-en-4-yl] phosphate
CID 11097868
[(E)-dec-2-enyl] diethyl phosphate
CID 11197103

Frequently Asked Questions

What is the IUPAC name of diethyl [(E,4R)-oct-2-en-4-yl] phosphate?
The IUPAC name of diethyl [(E,4R)-oct-2-en-4-yl] phosphate (CID 11032737) is diethyl [(E,4R)-oct-2-en-4-yl] phosphate.
What is the SMILES notation for diethyl [(E,4R)-oct-2-en-4-yl] phosphate?
The canonical SMILES for diethyl [(E,4R)-oct-2-en-4-yl] phosphate is C/C=C/[C@@H](CCCC)OP(=O)(OCC)OCC.
What is the InChIKey of diethyl [(E,4R)-oct-2-en-4-yl] phosphate?
The InChIKey is IJPZNOFZUGRMAA-JXPAYYINSA-N. The full InChI is InChI=1S/C12H25O4P/c1-5-9-11-12(10-6-2)16-17(13,14-7-3)15-8-4/h6,10,12H,5,7-9,11H2,1-4H3/b10-6+/t12-/m0/s1.
What are the key properties of diethyl [(E,4R)-oct-2-en-4-yl] phosphate?
diethyl [(E,4R)-oct-2-en-4-yl] phosphate has a molecular weight of 264.30 g/mol, XLogP of 4.32, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl [(E,4R)-oct-2-en-4-yl] phosphate is sourced from PubChem (CID 11032737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).