[[(8E)-1-bis(trimethylsilyloxy)phosphoryl-9,13-dimethyltetradeca-8,12-dienyl]-trimethylsilyloxyphosphoryl]oxy-trimethylsilane

C28H64O6P2Si4 — CID 11765041

IUPAC[[(8E)-1-bis(trimethylsilyloxy)phosphoryl-9,13-dimethyltetradeca-8,12-dienyl]-trimethylsilyloxyphosphoryl]oxy-trimethylsilane
SMILESCC(C)=CCC/C(C)=C/CCCCCCC(P(=O)(O[Si](C)(C)C)O[Si](C)(C)C)P(=O)(O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C28H64O6P2Si4/c1-26(2)22-21-24-27(3)23-19-17-16-18-20-25-28(35(29,31-37(4,5)6)32-38(7,8)9)36(30,33-39(10,11)12)34-40(13,14)15/h22-23,28H,16-21,24-25H2,1-15H3/b27-23+
InChIKeyCBPWNBMIQJOBDF-SLEBQGDGSA-N
MW671.11 g/mol
LogP12.14
Rot. Bonds20

About [[(8E)-1-bis(trimethylsilyloxy)phosphoryl-9,13-dimethyltetradeca-8,12-dienyl]-trimethylsilyloxyphosphoryl]oxy-trimethylsilane

[[(8E)-1-bis(trimethylsilyloxy)phosphoryl-9,13-dimethyltetradeca-8,12-dienyl]-trimethylsilyloxyphosphoryl]oxy-trimethylsilane (PubChem CID 11765041) has the molecular formula C28H64O6P2Si4 and a molecular weight of 671.11 g/mol. Its IUPAC name is [[(8E)-1-bis(trimethylsilyloxy)phosphoryl-9,13-dimethyltetradeca-8,12-dienyl]-trimethylsilyloxyphosphoryl]oxy-trimethylsilane.

Molecular Properties

Compound Name[[(8E)-1-bis(trimethylsilyloxy)phosphoryl-9,13-dimethyltetradeca-8,12-dienyl]-trimethylsilyloxyphosphoryl]oxy-trimethylsilane
PubChem CID11765041
Molecular FormulaC28H64O6P2Si4
Molecular Weight671.11 g/mol
Exact Mass670.33
IUPAC Name[[(8E)-1-bis(trimethylsilyloxy)phosphoryl-9,13-dimethyltetradeca-8,12-dienyl]-trimethylsilyloxyphosphoryl]oxy-trimethylsilane
SMILESCC(C)=CCC/C(C)=C/CCCCCCC(P(=O)(O[Si](C)(C)C)O[Si](C)(C)C)P(=O)(O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C28H64O6P2Si4/c1-26(2)22-21-24-27(3)23-19-17-16-18-20-25-28(35(29,31-37(4,5)6)32-38(7,8)9)36(30,33-39(10,11)12)34-40(13,14)15/h22-23,28H,16-21,24-25H2,1-15H3/b27-23+
InChIKeyCBPWNBMIQJOBDF-SLEBQGDGSA-N
XLogP12.14
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds20
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500671.11
LogP ≤ 512.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(6E,10E)-14,14-bis(diethoxyphosphoryl)-2,6,10-trimethyltetradeca-2,6,10-triene
CID 139611461
[(5E,9E)-1-[hydroxy(methyl)phosphoryl]-6,10,14-trimethylpentadeca-5,9,13-trienyl]phosphonic acid
CID 10386617
(6E,10E)-13,13-bis[di(propan-2-yloxy)phosphoryl]-2,6,10-trimethyltrideca-2,6,10-triene
CID 86750760
[1-[ethoxy(methyl)phosphoryl]-6,10-dimethylundeca-5,9-dienyl]phosphonic acid
CID 54550995
(6E,10E,15E)-2,6,10,16,20-pentamethylhenicosa-2,6,10,15,19-pentaene
CID 58662859
2,6-dimethyltetradeca-2,6-diene
CID 57189781
[7,11-dimethyldodeca-6,10-dienoxymethyl(propan-2-yloxy)phosphoryl]methylphosphonic acid
CID 54138303
(6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene;phosphoric acid
CID 174586289
(6,10-dimethyl-1-phosphonoundeca-5,9-dienyl)-formyl-dihydroxyphosphanium
CID 57322273
[1-[formyl(oxo)phosphaniumyl]-10,14-dimethylpentadeca-9,13-dienyl]-trihydroxyphosphanium
CID 57184738
2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene;phosphono dihydrogen phosphate
CID 173057958
(6E)-9-di(propan-2-yloxy)phosphoryl-2,6-dimethyl-9-[methyl(propan-2-yloxy)phosphoryl]nona-2,6-diene
CID 134930416

Frequently Asked Questions

What is the IUPAC name of [[(8E)-1-bis(trimethylsilyloxy)phosphoryl-9,13-dimethyltetradeca-8,12-dienyl]-trimethylsilyloxyphosphoryl]oxy-trimethylsilane?
The IUPAC name of [[(8E)-1-bis(trimethylsilyloxy)phosphoryl-9,13-dimethyltetradeca-8,12-dienyl]-trimethylsilyloxyphosphoryl]oxy-trimethylsilane (CID 11765041) is [[(8E)-1-bis(trimethylsilyloxy)phosphoryl-9,13-dimethyltetradeca-8,12-dienyl]-trimethylsilyloxyphosphoryl]oxy-trimethylsilane.
What is the SMILES notation for [[(8E)-1-bis(trimethylsilyloxy)phosphoryl-9,13-dimethyltetradeca-8,12-dienyl]-trimethylsilyloxyphosphoryl]oxy-trimethylsilane?
The canonical SMILES for [[(8E)-1-bis(trimethylsilyloxy)phosphoryl-9,13-dimethyltetradeca-8,12-dienyl]-trimethylsilyloxyphosphoryl]oxy-trimethylsilane is CC(C)=CCC/C(C)=C/CCCCCCC(P(=O)(O[Si](C)(C)C)O[Si](C)(C)C)P(=O)(O[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of [[(8E)-1-bis(trimethylsilyloxy)phosphoryl-9,13-dimethyltetradeca-8,12-dienyl]-trimethylsilyloxyphosphoryl]oxy-trimethylsilane?
The InChIKey is CBPWNBMIQJOBDF-SLEBQGDGSA-N. The full InChI is InChI=1S/C28H64O6P2Si4/c1-26(2)22-21-24-27(3)23-19-17-16-18-20-25-28(35(29,31-37(4,5)6)32-38(7,8)9)36(30,33-39(10,11)12)34-40(13,14)15/h22-23,28H,16-21,24-25H2,1-15H3/b27-23+.
What are the key properties of [[(8E)-1-bis(trimethylsilyloxy)phosphoryl-9,13-dimethyltetradeca-8,12-dienyl]-trimethylsilyloxyphosphoryl]oxy-trimethylsilane?
[[(8E)-1-bis(trimethylsilyloxy)phosphoryl-9,13-dimethyltetradeca-8,12-dienyl]-trimethylsilyloxyphosphoryl]oxy-trimethylsilane has a molecular weight of 671.11 g/mol, XLogP of 12.14, 20 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [[(8E)-1-bis(trimethylsilyloxy)phosphoryl-9,13-dimethyltetradeca-8,12-dienyl]-trimethylsilyloxyphosphoryl]oxy-trimethylsilane is sourced from PubChem (CID 11765041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).