(6E,10E)-14,14-bis(diethoxyphosphoryl)-2,6,10-trimethyltetradeca-2,6,10-triene

C25H48O6P2 — CID 139611461

IUPAC(6E,10E)-14,14-bis(diethoxyphosphoryl)-2,6,10-trimethyltetradeca-2,6,10-triene
SMILESCCOP(=O)(OCC)C(CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)P(=O)(OCC)OCC
InChIInChI=1S/C25H48O6P2/c1-9-28-32(26,29-10-2)25(33(27,30-11-3)31-12-4)21-15-20-24(8)19-14-18-23(7)17-13-16-22(5)6/h16,18,20,25H,9-15,17,19,21H2,1-8H3/b23-18+,24-20+
InChIKeyCIAZYMFAJVOVLH-LWUFTARWSA-N
MW506.60 g/mol
LogP9.04
Rot. Bonds19

About (6E,10E)-14,14-bis(diethoxyphosphoryl)-2,6,10-trimethyltetradeca-2,6,10-triene

(6E,10E)-14,14-bis(diethoxyphosphoryl)-2,6,10-trimethyltetradeca-2,6,10-triene (PubChem CID 139611461) has the molecular formula C25H48O6P2 and a molecular weight of 506.60 g/mol. Its IUPAC name is (6E,10E)-14,14-bis(diethoxyphosphoryl)-2,6,10-trimethyltetradeca-2,6,10-triene.

Molecular Properties

Compound Name(6E,10E)-14,14-bis(diethoxyphosphoryl)-2,6,10-trimethyltetradeca-2,6,10-triene
PubChem CID139611461
Molecular FormulaC25H48O6P2
Molecular Weight506.60 g/mol
Exact Mass506.29
IUPAC Name(6E,10E)-14,14-bis(diethoxyphosphoryl)-2,6,10-trimethyltetradeca-2,6,10-triene
SMILESCCOP(=O)(OCC)C(CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)P(=O)(OCC)OCC
InChIInChI=1S/C25H48O6P2/c1-9-28-32(26,29-10-2)25(33(27,30-11-3)31-12-4)21-15-20-24(8)19-14-18-23(7)17-13-16-22(5)6/h16,18,20,25H,9-15,17,19,21H2,1-8H3/b23-18+,24-20+
InChIKeyCIAZYMFAJVOVLH-LWUFTARWSA-N
XLogP9.04
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds19
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.60
LogP ≤ 59.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (6E,10E)-14,14-bis(diethoxyphosphoryl)-2,6,10-trimethyltetradeca-2,6,10-triene with MolForge

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Related Compounds

(6E)-9-diethoxyphosphoryl-2,6-dimethylnona-2,6-diene
CID 11335218
[1-[ethoxy(methyl)phosphoryl]-6,10-dimethylundeca-5,9-dienyl]phosphonic acid
CID 54550995
[(5E)-1-diethoxyphosphoryl-6,10-dimethylundeca-5,9-dienyl]-ethoxy-oxophosphanium
CID 10024415
[(6Z,10Z,14Z,18E,22E)-3,7,11,15,19,23,27-heptamethyloctacosa-6,10,14,18,22,26-hexaenyl] dihydrogen phosphate
CID 73427393
[(6Z,10Z,14Z,18Z,22Z,26Z,30Z,34Z,38Z,42Z,46Z,50Z,54Z,58Z,62Z,66E,70E)-3,7,11,15,19,23,27,31,35,39,43,47,51,55,59,63,67,71,75-nonadecamethylhexaheptaconta-6,10,14,18,22,26,30,34,38,42,46,50,54,58,62,66,70,74-octadecaenyl] dihydrogen phosphate
CID 91820439
[(6Z,10Z,14Z,18Z,22Z,26Z,30Z,34Z,38Z,42E,46E)-3,7,11,15,19,23,27,31,35,39,43,47,51-tridecamethyldopentaconta-6,10,14,18,22,26,30,34,38,42,46,50-dodecaenyl] dihydrogen phosphate
CID 91819787
4-[2,2-bis(diethoxyphosphoryl)ethyl]-1-[(3E)-4,8-dimethylnona-3,7-dienyl]triazole
CID 132581468
(6E,10E)-13,13-bis[di(propan-2-yloxy)phosphoryl]-2,6,10-trimethyltrideca-2,6,10-triene
CID 86750760
(6E)-9,9,9-tris(diethoxyphosphoryl)-2,6-dimethylnona-2,6-diene
CID 56651473
[[(8E)-1-bis(trimethylsilyloxy)phosphoryl-9,13-dimethyltetradeca-8,12-dienyl]-trimethylsilyloxyphosphoryl]oxy-trimethylsilane
CID 11765041
(6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene;phosphoric acid
CID 174586289
tris[(2Z,6Z,10Z)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl] phosphate
CID 122511254

Frequently Asked Questions

What is the IUPAC name of (6E,10E)-14,14-bis(diethoxyphosphoryl)-2,6,10-trimethyltetradeca-2,6,10-triene?
The IUPAC name of (6E,10E)-14,14-bis(diethoxyphosphoryl)-2,6,10-trimethyltetradeca-2,6,10-triene (CID 139611461) is (6E,10E)-14,14-bis(diethoxyphosphoryl)-2,6,10-trimethyltetradeca-2,6,10-triene.
What is the SMILES notation for (6E,10E)-14,14-bis(diethoxyphosphoryl)-2,6,10-trimethyltetradeca-2,6,10-triene?
The canonical SMILES for (6E,10E)-14,14-bis(diethoxyphosphoryl)-2,6,10-trimethyltetradeca-2,6,10-triene is CCOP(=O)(OCC)C(CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)P(=O)(OCC)OCC.
What is the InChIKey of (6E,10E)-14,14-bis(diethoxyphosphoryl)-2,6,10-trimethyltetradeca-2,6,10-triene?
The InChIKey is CIAZYMFAJVOVLH-LWUFTARWSA-N. The full InChI is InChI=1S/C25H48O6P2/c1-9-28-32(26,29-10-2)25(33(27,30-11-3)31-12-4)21-15-20-24(8)19-14-18-23(7)17-13-16-22(5)6/h16,18,20,25H,9-15,17,19,21H2,1-8H3/b23-18+,24-20+.
What are the key properties of (6E,10E)-14,14-bis(diethoxyphosphoryl)-2,6,10-trimethyltetradeca-2,6,10-triene?
(6E,10E)-14,14-bis(diethoxyphosphoryl)-2,6,10-trimethyltetradeca-2,6,10-triene has a molecular weight of 506.60 g/mol, XLogP of 9.04, 19 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6E,10E)-14,14-bis(diethoxyphosphoryl)-2,6,10-trimethyltetradeca-2,6,10-triene is sourced from PubChem (CID 139611461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).