(6E,10E)-13-[dimethoxyphosphorylmethyl(methoxy)phosphoryl]-2,6,10-trimethyltrideca-2,6,10-triene

C20H38O5P2 — CID 14167111

IUPAC(6E,10E)-13-[dimethoxyphosphorylmethyl(methoxy)phosphoryl]-2,6,10-trimethyltrideca-2,6,10-triene
SMILESCOP(=O)(CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)CP(=O)(OC)OC
InChIInChI=1S/C20H38O5P2/c1-18(2)11-8-12-19(3)13-9-14-20(4)15-10-16-26(21,23-5)17-27(22,24-6)25-7/h11,13,15H,8-10,12,14,16-17H2,1-7H3/b19-13+,20-15+
InChIKeyKPYXYKGSTQHJKY-YLYRKCBPSA-N
MW420.47 g/mol
LogP7.16
Rot. Bonds14

About (6E,10E)-13-[dimethoxyphosphorylmethyl(methoxy)phosphoryl]-2,6,10-trimethyltrideca-2,6,10-triene

(6E,10E)-13-[dimethoxyphosphorylmethyl(methoxy)phosphoryl]-2,6,10-trimethyltrideca-2,6,10-triene (PubChem CID 14167111) has the molecular formula C20H38O5P2 and a molecular weight of 420.47 g/mol. Its IUPAC name is (6E,10E)-13-[dimethoxyphosphorylmethyl(methoxy)phosphoryl]-2,6,10-trimethyltrideca-2,6,10-triene.

Molecular Properties

Compound Name(6E,10E)-13-[dimethoxyphosphorylmethyl(methoxy)phosphoryl]-2,6,10-trimethyltrideca-2,6,10-triene
PubChem CID14167111
Molecular FormulaC20H38O5P2
Molecular Weight420.47 g/mol
Exact Mass420.22
IUPAC Name(6E,10E)-13-[dimethoxyphosphorylmethyl(methoxy)phosphoryl]-2,6,10-trimethyltrideca-2,6,10-triene
SMILESCOP(=O)(CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)CP(=O)(OC)OC
InChIInChI=1S/C20H38O5P2/c1-18(2)11-8-12-19(3)13-9-14-20(4)15-10-16-26(21,23-5)17-27(22,24-6)25-7/h11,13,15H,8-10,12,14,16-17H2,1-7H3/b19-13+,20-15+
InChIKeyKPYXYKGSTQHJKY-YLYRKCBPSA-N
XLogP7.16
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.47
LogP ≤ 57.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2E, 6E)-farnesylbisphosphonate
CID 9871730
Digeranyl Bisphosphonate
CID 11606263
[(3E,7E)-1-[hydroxy(methyl)phosphoryl]-4,8,12-trimethyltrideca-3,7,11-trienyl]phosphonic acid
CID 9999696
[(5E,9E)-1-(Hydroxy-methoxymethyl-phosphinoyl)-6,10,14-trimethyl-pentadeca-5,9,13-trienyl]-phosphonic acid
CID 10003142
[(E)-1-(Hydroxy-methyl-phosphinoyl)-6,10-dimethyl-undeca-5,9-dienyl]-phosphonic acid
CID 10020005
[(E)-1-(Hydroxy-methyl-phosphinoyl)-8,12-dimethyl-trideca-7,11-dienyl]-phosphonic acid
CID 10090298
[hydroxy-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]phosphoryl]methylphosphonic acid
CID 10249060
[(6E,10E)-1-(Hydroxy-methyl-phosphinoyl)-7,11,15-trimethyl-hexadeca-6,10,14-trienyl]-phosphonic acid
CID 10319958
[(E)-1-(Hydroxy-methoxymethyl-phosphinoyl)-6,10-dimethyl-undeca-5,9-dienyl]-phosphonic acid
CID 10339002
[(5E)-1-[hydroxy(hydroxymethyl)phosphoryl]-6,10-dimethylundeca-5,9-dienyl]phosphonic acid
CID 10383469
[(5E,9E)-1-(Hydroxy-methyl-phosphinoyl)-6,10,14-trimethyl-pentadeca-5,9,13-trienyl]-phosphonic acid
CID 10386617
((5E,9E)-6,10,14-Trimethyl-1-phosphono-pentadeca-5,9,13-trienyl)-phosphonic acid
CID 10597563

Frequently Asked Questions

What is the IUPAC name of (6E,10E)-13-[dimethoxyphosphorylmethyl(methoxy)phosphoryl]-2,6,10-trimethyltrideca-2,6,10-triene?
The IUPAC name of (6E,10E)-13-[dimethoxyphosphorylmethyl(methoxy)phosphoryl]-2,6,10-trimethyltrideca-2,6,10-triene (CID 14167111) is (6E,10E)-13-[dimethoxyphosphorylmethyl(methoxy)phosphoryl]-2,6,10-trimethyltrideca-2,6,10-triene.
What is the SMILES notation for (6E,10E)-13-[dimethoxyphosphorylmethyl(methoxy)phosphoryl]-2,6,10-trimethyltrideca-2,6,10-triene?
The canonical SMILES for (6E,10E)-13-[dimethoxyphosphorylmethyl(methoxy)phosphoryl]-2,6,10-trimethyltrideca-2,6,10-triene is COP(=O)(CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)CP(=O)(OC)OC.
What is the InChIKey of (6E,10E)-13-[dimethoxyphosphorylmethyl(methoxy)phosphoryl]-2,6,10-trimethyltrideca-2,6,10-triene?
The InChIKey is KPYXYKGSTQHJKY-YLYRKCBPSA-N. The full InChI is InChI=1S/C20H38O5P2/c1-18(2)11-8-12-19(3)13-9-14-20(4)15-10-16-26(21,23-5)17-27(22,24-6)25-7/h11,13,15H,8-10,12,14,16-17H2,1-7H3/b19-13+,20-15+.
What are the key properties of (6E,10E)-13-[dimethoxyphosphorylmethyl(methoxy)phosphoryl]-2,6,10-trimethyltrideca-2,6,10-triene?
(6E,10E)-13-[dimethoxyphosphorylmethyl(methoxy)phosphoryl]-2,6,10-trimethyltrideca-2,6,10-triene has a molecular weight of 420.47 g/mol, XLogP of 7.16, 14 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6E,10E)-13-[dimethoxyphosphorylmethyl(methoxy)phosphoryl]-2,6,10-trimethyltrideca-2,6,10-triene is sourced from PubChem (CID 14167111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).