(6E,10E)-13-diethoxyphosphoryl-2,6,10-trimethyltrideca-2,6,10-triene

C20H37O3P — CID 134870879

IUPAC(6E,10E)-13-diethoxyphosphoryl-2,6,10-trimethyltrideca-2,6,10-triene
SMILESCCOP(=O)(CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)OCC
InChIInChI=1S/C20H37O3P/c1-7-22-24(21,23-8-2)17-11-16-20(6)15-10-14-19(5)13-9-12-18(3)4/h12,14,16H,7-11,13,15,17H2,1-6H3/b19-14+,20-16+
InChIKeyVVWOBIIWKXPIER-XHGFWWIISA-N
MW356.49 g/mol
LogP7.06
Rot. Bonds13

About (6E,10E)-13-diethoxyphosphoryl-2,6,10-trimethyltrideca-2,6,10-triene

(6E,10E)-13-diethoxyphosphoryl-2,6,10-trimethyltrideca-2,6,10-triene (PubChem CID 134870879) has the molecular formula C20H37O3P and a molecular weight of 356.49 g/mol. Its IUPAC name is (6E,10E)-13-diethoxyphosphoryl-2,6,10-trimethyltrideca-2,6,10-triene.

Molecular Properties

Compound Name(6E,10E)-13-diethoxyphosphoryl-2,6,10-trimethyltrideca-2,6,10-triene
PubChem CID134870879
Molecular FormulaC20H37O3P
Molecular Weight356.49 g/mol
Exact Mass356.25
IUPAC Name(6E,10E)-13-diethoxyphosphoryl-2,6,10-trimethyltrideca-2,6,10-triene
SMILESCCOP(=O)(CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)OCC
InChIInChI=1S/C20H37O3P/c1-7-22-24(21,23-8-2)17-11-16-20(6)15-10-14-19(5)13-9-12-18(3)4/h12,14,16H,7-11,13,15,17H2,1-6H3/b19-14+,20-16+
InChIKeyVVWOBIIWKXPIER-XHGFWWIISA-N
XLogP7.06
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.49
LogP ≤ 57.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Trans,6-trans,10-trans-geranylgeranyl diphosphate(3-)
CID 5497105
All-trans-pentaprenyl diphosphate(3-)
CID 25244051
di-trans,octa-cis-Undecaprenyl phosphate
CID 25245635
All-trans-hexaprenyl diphosphate(3-)
CID 25246217
(2Z,6Z,10Z,14Z,18Z,22Z,26Z,30Z,34E)-decaprenyl phosphate
CID 45479679
Geranylgeranyl phosphate
CID 46926146
2-cis,6-trans,10-trans-Geranylgeranyl diphosphate(3-)
CID 25245826
Geranylgeraniol monophosphate
CID 6443839
[hydroxy(methoxy)phosphoryl]methyl-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]phosphinic acid
CID 15737300
[(5E,9E)-6,10,14-trimethylpentadeca-5,9,13-trienyl]phosphonic acid
CID 19787713
Undecaprenyl phosphate(2-)
CID 25245653
Tri-trans,hepta-cis-undecaprenyl phosphate
CID 45105125

Frequently Asked Questions

What is the IUPAC name of (6E,10E)-13-diethoxyphosphoryl-2,6,10-trimethyltrideca-2,6,10-triene?
The IUPAC name of (6E,10E)-13-diethoxyphosphoryl-2,6,10-trimethyltrideca-2,6,10-triene (CID 134870879) is (6E,10E)-13-diethoxyphosphoryl-2,6,10-trimethyltrideca-2,6,10-triene.
What is the SMILES notation for (6E,10E)-13-diethoxyphosphoryl-2,6,10-trimethyltrideca-2,6,10-triene?
The canonical SMILES for (6E,10E)-13-diethoxyphosphoryl-2,6,10-trimethyltrideca-2,6,10-triene is CCOP(=O)(CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)OCC.
What is the InChIKey of (6E,10E)-13-diethoxyphosphoryl-2,6,10-trimethyltrideca-2,6,10-triene?
The InChIKey is VVWOBIIWKXPIER-XHGFWWIISA-N. The full InChI is InChI=1S/C20H37O3P/c1-7-22-24(21,23-8-2)17-11-16-20(6)15-10-14-19(5)13-9-12-18(3)4/h12,14,16H,7-11,13,15,17H2,1-6H3/b19-14+,20-16+.
What are the key properties of (6E,10E)-13-diethoxyphosphoryl-2,6,10-trimethyltrideca-2,6,10-triene?
(6E,10E)-13-diethoxyphosphoryl-2,6,10-trimethyltrideca-2,6,10-triene has a molecular weight of 356.49 g/mol, XLogP of 7.06, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6E,10E)-13-diethoxyphosphoryl-2,6,10-trimethyltrideca-2,6,10-triene is sourced from PubChem (CID 134870879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).