10-diethoxyphosphoryldodeca-1,3,5,7-tetraene

C16H27O3P — CID 123597573

IUPAC10-diethoxyphosphoryldodeca-1,3,5,7-tetraene
SMILESC=CC=CC=CC=CCC(CC)P(=O)(OCC)OCC
InChIInChI=1S/C16H27O3P/c1-5-9-10-11-12-13-14-15-16(6-2)20(17,18-7-3)19-8-4/h5,9-14,16H,1,6-8,15H2,2-4H3
InChIKeyGZMLPWCCVZLXQO-UHFFFAOYSA-N
MW298.36 g/mol
LogP5.28
Rot. Bonds11

About 10-diethoxyphosphoryldodeca-1,3,5,7-tetraene

10-diethoxyphosphoryldodeca-1,3,5,7-tetraene (PubChem CID 123597573) has the molecular formula C16H27O3P and a molecular weight of 298.36 g/mol. Its IUPAC name is 10-diethoxyphosphoryldodeca-1,3,5,7-tetraene.

Molecular Properties

Compound Name10-diethoxyphosphoryldodeca-1,3,5,7-tetraene
PubChem CID123597573
Molecular FormulaC16H27O3P
Molecular Weight298.36 g/mol
Exact Mass298.17
IUPAC Name10-diethoxyphosphoryldodeca-1,3,5,7-tetraene
SMILESC=CC=CC=CC=CCC(CC)P(=O)(OCC)OCC
InChIInChI=1S/C16H27O3P/c1-5-9-10-11-12-13-14-15-16(6-2)20(17,18-7-3)19-8-4/h5,9-14,16H,1,6-8,15H2,2-4H3
InChIKeyGZMLPWCCVZLXQO-UHFFFAOYSA-N
XLogP5.28
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.36
LogP ≤ 55.28
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-diethoxyphosphoryl-1-fluorooct-2-ene
CID 100929330
[(2E,4E)-4-Methyl-2,4-hexadienyl]phosphonic acid diethyl ester
CID 10966369
(E)-1-diethoxyphosphoryloct-2-ene
CID 10444695
(Z)-1-diethoxyphosphorylhex-1-ene
CID 11063957
4-Diethoxyphosphorylcyclohexene
CID 85519806
5-Diethoxyphosphorylhex-1-ene
CID 85795847
6-Diethoxyphosphorylhex-1-ene
CID 10466042
Diethoxyphosphorylcyclopentene
CID 10774533
(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
(E)-4-diethoxyphosphoryloct-4-ene
CID 12160036

Frequently Asked Questions

What is the IUPAC name of 10-diethoxyphosphoryldodeca-1,3,5,7-tetraene?
The IUPAC name of 10-diethoxyphosphoryldodeca-1,3,5,7-tetraene (CID 123597573) is 10-diethoxyphosphoryldodeca-1,3,5,7-tetraene.
What is the SMILES notation for 10-diethoxyphosphoryldodeca-1,3,5,7-tetraene?
The canonical SMILES for 10-diethoxyphosphoryldodeca-1,3,5,7-tetraene is C=CC=CC=CC=CCC(CC)P(=O)(OCC)OCC.
What is the InChIKey of 10-diethoxyphosphoryldodeca-1,3,5,7-tetraene?
The InChIKey is GZMLPWCCVZLXQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27O3P/c1-5-9-10-11-12-13-14-15-16(6-2)20(17,18-7-3)19-8-4/h5,9-14,16H,1,6-8,15H2,2-4H3.
What are the key properties of 10-diethoxyphosphoryldodeca-1,3,5,7-tetraene?
10-diethoxyphosphoryldodeca-1,3,5,7-tetraene has a molecular weight of 298.36 g/mol, XLogP of 5.28, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-diethoxyphosphoryldodeca-1,3,5,7-tetraene is sourced from PubChem (CID 123597573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).