diethyl [(E)-hept-3-en-2-yl] phosphate

C11H23O4P — CID 134891133

IUPACdiethyl [(E)-hept-3-en-2-yl] phosphate
SMILESCCC/C=C/C(C)OP(=O)(OCC)OCC
InChIInChI=1S/C11H23O4P/c1-5-8-9-10-11(4)15-16(12,13-6-2)14-7-3/h9-11H,5-8H2,1-4H3/b10-9+
InChIKeyIZQZTULQWSYOJQ-MDZDMXLPSA-N
MW250.27 g/mol
LogP3.93
Rot. Bonds9

About diethyl [(E)-hept-3-en-2-yl] phosphate

diethyl [(E)-hept-3-en-2-yl] phosphate (PubChem CID 134891133) has the molecular formula C11H23O4P and a molecular weight of 250.27 g/mol. Its IUPAC name is diethyl [(E)-hept-3-en-2-yl] phosphate.

Molecular Properties

Compound Namediethyl [(E)-hept-3-en-2-yl] phosphate
PubChem CID134891133
Molecular FormulaC11H23O4P
Molecular Weight250.27 g/mol
Exact Mass250.13
IUPAC Namediethyl [(E)-hept-3-en-2-yl] phosphate
SMILESCCC/C=C/C(C)OP(=O)(OCC)OCC
InChIInChI=1S/C11H23O4P/c1-5-8-9-10-11(4)15-16(12,13-6-2)14-7-3/h9-11H,5-8H2,1-4H3/b10-9+
InChIKeyIZQZTULQWSYOJQ-MDZDMXLPSA-N
XLogP3.93
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.27
LogP ≤ 53.93
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

(2E,6E)-Farnesyl phosphate
CID 46926298
Geranyl monophosphate
CID 52940120
[(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
[(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
[(E)-but-2-enyl] dipropan-2-yl phosphate
CID 124680681
Neryl diethyl phosphate
CID 10424312
diethyl [(E,3R)-2-methylhex-4-en-3-yl] phosphate
CID 10988693
diethyl [(E,4R)-oct-2-en-4-yl] phosphate
CID 11032737

Frequently Asked Questions

What is the IUPAC name of diethyl [(E)-hept-3-en-2-yl] phosphate?
The IUPAC name of diethyl [(E)-hept-3-en-2-yl] phosphate (CID 134891133) is diethyl [(E)-hept-3-en-2-yl] phosphate.
What is the SMILES notation for diethyl [(E)-hept-3-en-2-yl] phosphate?
The canonical SMILES for diethyl [(E)-hept-3-en-2-yl] phosphate is CCC/C=C/C(C)OP(=O)(OCC)OCC.
What is the InChIKey of diethyl [(E)-hept-3-en-2-yl] phosphate?
The InChIKey is IZQZTULQWSYOJQ-MDZDMXLPSA-N. The full InChI is InChI=1S/C11H23O4P/c1-5-8-9-10-11(4)15-16(12,13-6-2)14-7-3/h9-11H,5-8H2,1-4H3/b10-9+.
What are the key properties of diethyl [(E)-hept-3-en-2-yl] phosphate?
diethyl [(E)-hept-3-en-2-yl] phosphate has a molecular weight of 250.27 g/mol, XLogP of 3.93, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl [(E)-hept-3-en-2-yl] phosphate is sourced from PubChem (CID 134891133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).