(4Z,6E)-4-[(E)-2-diethoxyphosphorylethenyl]-5,6-dipropyldeca-4,6-diene

C22H41O3P — CID 135026457

IUPAC(4Z,6E)-4-[(E)-2-diethoxyphosphorylethenyl]-5,6-dipropyldeca-4,6-diene
SMILESCCC/C=C(CCC)/C(CCC)=C(\C=C\P(=O)(OCC)OCC)CCC
InChIInChI=1S/C22H41O3P/c1-7-13-17-20(14-8-2)22(16-10-4)21(15-9-3)18-19-26(23,24-11-5)25-12-6/h17-19H,7-16H2,1-6H3/b19-18+,20-17+,22-21-
InChIKeyUAEJUPNZTRERGI-JFRCVXTASA-N
MW384.54 g/mol
LogP8.19
Rot. Bonds15

About (4Z,6E)-4-[(E)-2-diethoxyphosphorylethenyl]-5,6-dipropyldeca-4,6-diene

(4Z,6E)-4-[(E)-2-diethoxyphosphorylethenyl]-5,6-dipropyldeca-4,6-diene (PubChem CID 135026457) has the molecular formula C22H41O3P and a molecular weight of 384.54 g/mol. Its IUPAC name is (4Z,6E)-4-[(E)-2-diethoxyphosphorylethenyl]-5,6-dipropyldeca-4,6-diene.

Molecular Properties

Compound Name(4Z,6E)-4-[(E)-2-diethoxyphosphorylethenyl]-5,6-dipropyldeca-4,6-diene
PubChem CID135026457
Molecular FormulaC22H41O3P
Molecular Weight384.54 g/mol
Exact Mass384.28
IUPAC Name(4Z,6E)-4-[(E)-2-diethoxyphosphorylethenyl]-5,6-dipropyldeca-4,6-diene
SMILESCCC/C=C(CCC)/C(CCC)=C(\C=C\P(=O)(OCC)OCC)CCC
InChIInChI=1S/C22H41O3P/c1-7-13-17-20(14-8-2)22(16-10-4)21(15-9-3)18-19-26(23,24-11-5)25-12-6/h17-19H,7-16H2,1-6H3/b19-18+,20-17+,22-21-
InChIKeyUAEJUPNZTRERGI-JFRCVXTASA-N
XLogP8.19
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.54
LogP ≤ 58.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(Z)-1-[ethoxy(fluoro)phosphoryl]octadec-8-ene
CID 44589212
[(2E,4E)-4-Methyl-2,4-hexadienyl]phosphonic acid diethyl ester
CID 10966369
Methyl 9-octadecenyl phosphite
CID 57357331
(E)-1-diethoxyphosphoryl-5-fluoropentadec-2-ene
CID 154714406
(1E,3E)-1-diethoxyphosphoryl-4,8-dimethylnona-1,3,7-triene
CID 11266150
(6E,10E)-13-diethoxyphosphoryl-2,6,10-trimethyltrideca-2,6,10-triene
CID 134870879
Diethyl (9z,12z)-octadeca-9,12-dien-1-ylphosphonate
CID 150186425
Octadeca-1,3-dienyl dihydrogen phosphate
CID 78411250
Methoxy(octadec-9-enyl)phosphinic acid
CID 91426867
(1E,4E,6E)-1-diethoxyphosphoryl-3,7,11-trimethyldodeca-1,4,6,10-tetraene
CID 89272554
methoxy-[(9Z,12Z,15Z)-octadeca-9,12,15-trienyl]phosphinic acid
CID 137552725
(4Z)-4-diethoxyphosphoryl-5-ethylnona-1,4-diene
CID 10589442

Frequently Asked Questions

What is the IUPAC name of (4Z,6E)-4-[(E)-2-diethoxyphosphorylethenyl]-5,6-dipropyldeca-4,6-diene?
The IUPAC name of (4Z,6E)-4-[(E)-2-diethoxyphosphorylethenyl]-5,6-dipropyldeca-4,6-diene (CID 135026457) is (4Z,6E)-4-[(E)-2-diethoxyphosphorylethenyl]-5,6-dipropyldeca-4,6-diene.
What is the SMILES notation for (4Z,6E)-4-[(E)-2-diethoxyphosphorylethenyl]-5,6-dipropyldeca-4,6-diene?
The canonical SMILES for (4Z,6E)-4-[(E)-2-diethoxyphosphorylethenyl]-5,6-dipropyldeca-4,6-diene is CCC/C=C(CCC)/C(CCC)=C(\C=C\P(=O)(OCC)OCC)CCC.
What is the InChIKey of (4Z,6E)-4-[(E)-2-diethoxyphosphorylethenyl]-5,6-dipropyldeca-4,6-diene?
The InChIKey is UAEJUPNZTRERGI-JFRCVXTASA-N. The full InChI is InChI=1S/C22H41O3P/c1-7-13-17-20(14-8-2)22(16-10-4)21(15-9-3)18-19-26(23,24-11-5)25-12-6/h17-19H,7-16H2,1-6H3/b19-18+,20-17+,22-21-.
What are the key properties of (4Z,6E)-4-[(E)-2-diethoxyphosphorylethenyl]-5,6-dipropyldeca-4,6-diene?
(4Z,6E)-4-[(E)-2-diethoxyphosphorylethenyl]-5,6-dipropyldeca-4,6-diene has a molecular weight of 384.54 g/mol, XLogP of 8.19, 15 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,6E)-4-[(E)-2-diethoxyphosphorylethenyl]-5,6-dipropyldeca-4,6-diene is sourced from PubChem (CID 135026457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).