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

C10H21O4P — CID 14415554

IUPACdiethyl [(E)-hex-2-enyl] phosphate
SMILESCCC/C=C/COP(=O)(OCC)OCC
InChIInChI=1S/C10H21O4P/c1-4-7-8-9-10-14-15(11,12-5-2)13-6-3/h8-9H,4-7,10H2,1-3H3/b9-8+
InChIKeyRVRPRLHXHUIJRH-CMDGGOBGSA-N
MW236.25 g/mol
LogP3.54
Rot. Bonds9

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

diethyl [(E)-hex-2-enyl] phosphate (PubChem CID 14415554) has the molecular formula C10H21O4P and a molecular weight of 236.25 g/mol. Its IUPAC name is diethyl [(E)-hex-2-enyl] phosphate.

Molecular Properties

Compound Namediethyl [(E)-hex-2-enyl] phosphate
PubChem CID14415554
Molecular FormulaC10H21O4P
Molecular Weight236.25 g/mol
Exact Mass236.12
IUPAC Namediethyl [(E)-hex-2-enyl] phosphate
SMILESCCC/C=C/COP(=O)(OCC)OCC
InChIInChI=1S/C10H21O4P/c1-4-7-8-9-10-14-15(11,12-5-2)13-6-3/h8-9H,4-7,10H2,1-3H3/b9-8+
InChIKeyRVRPRLHXHUIJRH-CMDGGOBGSA-N
XLogP3.54
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.25
LogP ≤ 53.54
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

Farnesyl pyrophosphate
CID 445713
Geranyl Diphosphate
CID 445995
2-cis,6-trans-Farnesyl diphosphate
CID 445683
2-Trans,6-cis-farnesyl diphosphate
CID 10970974
2-Trans,6-trans-farnesyl diphosphate(3-)
CID 15983959
P-(3,7,11-Trimethyl-2,6,10-dodecatrien-1-yl) trihydrogen (diphosphate)
CID 706
Geranyl diphosphate(3-)
CID 19379894
Phosphoric acid mono-((E)-dec-4-enyl) ester
CID 11276402
2-cis,6-cis-Farnesyl diphosphate
CID 11132720
2,6,10-Dodecatrien-1-ol, 3,7,11-trimethyl-, 1-(dihydrogen phosphate), (2E,6E)-
CID 10357552
Farnesyl monophosphate
CID 6440220
(2e,6e)-7,11-Dimethyldodeca-2,6,10-Trien-1-Yl Trihydrogen Diphosphate
CID 15818142

Frequently Asked Questions

What is the IUPAC name of diethyl [(E)-hex-2-enyl] phosphate?
The IUPAC name of diethyl [(E)-hex-2-enyl] phosphate (CID 14415554) is diethyl [(E)-hex-2-enyl] phosphate.
What is the SMILES notation for diethyl [(E)-hex-2-enyl] phosphate?
The canonical SMILES for diethyl [(E)-hex-2-enyl] phosphate is CCC/C=C/COP(=O)(OCC)OCC.
What is the InChIKey of diethyl [(E)-hex-2-enyl] phosphate?
The InChIKey is RVRPRLHXHUIJRH-CMDGGOBGSA-N. The full InChI is InChI=1S/C10H21O4P/c1-4-7-8-9-10-14-15(11,12-5-2)13-6-3/h8-9H,4-7,10H2,1-3H3/b9-8+.
What are the key properties of diethyl [(E)-hex-2-enyl] phosphate?
diethyl [(E)-hex-2-enyl] phosphate has a molecular weight of 236.25 g/mol, XLogP of 3.54, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl [(E)-hex-2-enyl] phosphate is sourced from PubChem (CID 14415554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).