(2E,4E)-3-diethoxyphosphoryldeca-2,4-diene

C14H27O3P — CID 11219558

IUPAC(2E,4E)-3-diethoxyphosphoryldeca-2,4-diene
SMILESC/C=C(\C=C\CCCCC)P(=O)(OCC)OCC
InChIInChI=1S/C14H27O3P/c1-5-9-10-11-12-13-14(6-2)18(15,16-7-3)17-8-4/h6,12-13H,5,7-11H2,1-4H3/b13-12+,14-6+
InChIKeyIJGKTYJEDDDTNW-XVLZVBEUSA-N
MW274.34 g/mol
LogP5.29
Rot. Bonds10

About (2E,4E)-3-diethoxyphosphoryldeca-2,4-diene

(2E,4E)-3-diethoxyphosphoryldeca-2,4-diene (PubChem CID 11219558) has the molecular formula C14H27O3P and a molecular weight of 274.34 g/mol. Its IUPAC name is (2E,4E)-3-diethoxyphosphoryldeca-2,4-diene.

Molecular Properties

Compound Name(2E,4E)-3-diethoxyphosphoryldeca-2,4-diene
PubChem CID11219558
Molecular FormulaC14H27O3P
Molecular Weight274.34 g/mol
Exact Mass274.17
IUPAC Name(2E,4E)-3-diethoxyphosphoryldeca-2,4-diene
SMILESC/C=C(\C=C\CCCCC)P(=O)(OCC)OCC
InChIInChI=1S/C14H27O3P/c1-5-9-10-11-12-13-14(6-2)18(15,16-7-3)17-8-4/h6,12-13H,5,7-11H2,1-4H3/b13-12+,14-6+
InChIKeyIJGKTYJEDDDTNW-XVLZVBEUSA-N
XLogP5.29
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.34
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Phosphoric acid mono-((E)-dec-4-enyl) ester
CID 11276402
(Z)-1-diethoxyphosphoryl-1-fluorooct-2-ene
CID 100929330
[(2E,4E)-4-Methyl-2,4-hexadienyl]phosphonic acid diethyl ester
CID 10966369
(E)-1-diethoxyphosphoryl-1-fluoronon-2-ene
CID 15449246
(E)-1-diethoxyphosphoryloct-2-ene
CID 10444695
4-Diethoxyphosphorylcyclohexene
CID 85519806
6-Diethoxyphosphorylhept-1-ene
CID 85795853
1-Diethoxyphosphorylcyclohexene
CID 10560750
Diethoxyphosphorylcyclopentene
CID 10774533
(E)-1-diethoxyphosphorylhept-1-ene
CID 10879051
(1E,3E)-1-diethoxyphosphoryl-4,8-dimethylnona-1,3,7-triene
CID 11266150
(E)-2-diethoxyphosphorylpent-2-ene
CID 13613003

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-3-diethoxyphosphoryldeca-2,4-diene?
The IUPAC name of (2E,4E)-3-diethoxyphosphoryldeca-2,4-diene (CID 11219558) is (2E,4E)-3-diethoxyphosphoryldeca-2,4-diene.
What is the SMILES notation for (2E,4E)-3-diethoxyphosphoryldeca-2,4-diene?
The canonical SMILES for (2E,4E)-3-diethoxyphosphoryldeca-2,4-diene is C/C=C(\C=C\CCCCC)P(=O)(OCC)OCC.
What is the InChIKey of (2E,4E)-3-diethoxyphosphoryldeca-2,4-diene?
The InChIKey is IJGKTYJEDDDTNW-XVLZVBEUSA-N. The full InChI is InChI=1S/C14H27O3P/c1-5-9-10-11-12-13-14(6-2)18(15,16-7-3)17-8-4/h6,12-13H,5,7-11H2,1-4H3/b13-12+,14-6+.
What are the key properties of (2E,4E)-3-diethoxyphosphoryldeca-2,4-diene?
(2E,4E)-3-diethoxyphosphoryldeca-2,4-diene has a molecular weight of 274.34 g/mol, XLogP of 5.29, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-3-diethoxyphosphoryldeca-2,4-diene is sourced from PubChem (CID 11219558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).