diethyl [(1E,3Z)-hexa-1,3-dienyl] phosphate

C10H19O4P — CID 155635557

IUPACdiethyl [(1E,3Z)-hexa-1,3-dienyl] phosphate
SMILESCC/C=C\C=C\OP(=O)(OCC)OCC
InChIInChI=1S/C10H19O4P/c1-4-7-8-9-10-14-15(11,12-5-2)13-6-3/h7-10H,4-6H2,1-3H3/b8-7-,10-9+
InChIKeyTUKWYTVHOYMJPV-UQGDGPGGSA-N
MW234.23 g/mol
LogP3.66
Rot. Bonds8

About diethyl [(1E,3Z)-hexa-1,3-dienyl] phosphate

diethyl [(1E,3Z)-hexa-1,3-dienyl] phosphate (PubChem CID 155635557) has the molecular formula C10H19O4P and a molecular weight of 234.23 g/mol. Its IUPAC name is diethyl [(1E,3Z)-hexa-1,3-dienyl] phosphate.

Molecular Properties

Compound Namediethyl [(1E,3Z)-hexa-1,3-dienyl] phosphate
PubChem CID155635557
Molecular FormulaC10H19O4P
Molecular Weight234.23 g/mol
Exact Mass234.10
IUPAC Namediethyl [(1E,3Z)-hexa-1,3-dienyl] phosphate
SMILESCC/C=C\C=C\OP(=O)(OCC)OCC
InChIInChI=1S/C10H19O4P/c1-4-7-8-9-10-14-15(11,12-5-2)13-6-3/h7-10H,4-6H2,1-3H3/b8-7-,10-9+
InChIKeyTUKWYTVHOYMJPV-UQGDGPGGSA-N
XLogP3.66
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.23
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

[(2E,4E)-4-Methyl-2,4-hexadienyl]phosphonic acid diethyl ester
CID 10966369
(E)-1-diethoxyphosphorylpent-2-ene
CID 14220163
diethyl [(Z)-hex-2-enyl] phosphate
CID 14415553
diethyl [(E)-hex-2-enyl] phosphate
CID 14415554
Di-ethyl cyclohexadienyl phosphate
CID 102409695
(Z)-1-diethoxyphosphorylhex-3-ene
CID 134980857
(3E)-3-diethoxyphosphoryl-4-methylhexa-1,3-diene
CID 134988838
diethyl [(1E,3E)-4-methylhexa-1,3-dienyl] phosphate
CID 135056884
diethyl [(Z)-pent-2-enyl] phosphate
CID 135072938
Phosphoric acid diethyl ester hexa-3,5-dienyl ester
CID 156025269
diethyl [(1E,3Z)-hepta-1,3-dienyl] phosphate
CID 178269987
(2E,4E)-1-diethoxyphosphorylnona-2,4-diene
CID 11043502

Frequently Asked Questions

What is the IUPAC name of diethyl [(1E,3Z)-hexa-1,3-dienyl] phosphate?
The IUPAC name of diethyl [(1E,3Z)-hexa-1,3-dienyl] phosphate (CID 155635557) is diethyl [(1E,3Z)-hexa-1,3-dienyl] phosphate.
What is the SMILES notation for diethyl [(1E,3Z)-hexa-1,3-dienyl] phosphate?
The canonical SMILES for diethyl [(1E,3Z)-hexa-1,3-dienyl] phosphate is CC/C=C\C=C\OP(=O)(OCC)OCC.
What is the InChIKey of diethyl [(1E,3Z)-hexa-1,3-dienyl] phosphate?
The InChIKey is TUKWYTVHOYMJPV-UQGDGPGGSA-N. The full InChI is InChI=1S/C10H19O4P/c1-4-7-8-9-10-14-15(11,12-5-2)13-6-3/h7-10H,4-6H2,1-3H3/b8-7-,10-9+.
What are the key properties of diethyl [(1E,3Z)-hexa-1,3-dienyl] phosphate?
diethyl [(1E,3Z)-hexa-1,3-dienyl] phosphate has a molecular weight of 234.23 g/mol, XLogP of 3.66, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl [(1E,3Z)-hexa-1,3-dienyl] phosphate is sourced from PubChem (CID 155635557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).