bis(dimethyl(oxo)silane);[(Z)-4-[3-[(Z)-4-[dimethyl(phenyl)silyl]oxypent-1-enyl]-5-[(Z)-4-phenylpent-1-enyl]phenyl]-1-phenylbut-3-enyl]-dimethyl-phenylsilane

C52H68O3Si4 — CID 161333703

IUPACbis(dimethyl(oxo)silane);[(Z)-4-[3-[(Z)-4-[dimethyl(phenyl)silyl]oxypent-1-enyl]-5-[(Z)-4-phenylpent-1-enyl]phenyl]-1-phenylbut-3-enyl]-dimethyl-phenylsilane
SMILESCC(C/C=C\c1cc(/C=C\CC(C)c2ccccc2)cc(/C=C\CC(c2ccccc2)[Si](C)(C)c2ccccc2)c1)O[Si](C)(C)c1ccccc1.C[Si](C)=O.C[Si](C)=O
InChIInChI=1S/C48H56OSi2.2C2H6OSi/c1-39(44-27-11-7-12-28-44)22-19-24-41-36-42(25-20-23-40(2)49-51(5,6)47-33-17-10-18-34-47)38-43(37-41)26-21-35-48(45-29-13-8-14-30-45)50(3,4)46-31-15-9-16-32-46;2*1-4(2)3/h7-21,24-34,36-40,48H,22-23,35H2,1-6H3;2*1-2H3/b24-19-,25-20-,26-21-;;
InChIKeyVLTCYJIYVOLIJU-NHONSUFCSA-N
MW853.46 g/mol
LogP13.49
Rot. Bonds16

About bis(dimethyl(oxo)silane);[(Z)-4-[3-[(Z)-4-[dimethyl(phenyl)silyl]oxypent-1-enyl]-5-[(Z)-4-phenylpent-1-enyl]phenyl]-1-phenylbut-3-enyl]-dimethyl-phenylsilane

bis(dimethyl(oxo)silane);[(Z)-4-[3-[(Z)-4-[dimethyl(phenyl)silyl]oxypent-1-enyl]-5-[(Z)-4-phenylpent-1-enyl]phenyl]-1-phenylbut-3-enyl]-dimethyl-phenylsilane (PubChem CID 161333703) has the molecular formula C52H68O3Si4 and a molecular weight of 853.46 g/mol. Its IUPAC name is bis(dimethyl(oxo)silane);[(Z)-4-[3-[(Z)-4-[dimethyl(phenyl)silyl]oxypent-1-enyl]-5-[(Z)-4-phenylpent-1-enyl]phenyl]-1-phenylbut-3-enyl]-dimethyl-phenylsilane.

Molecular Properties

Compound Namebis(dimethyl(oxo)silane);[(Z)-4-[3-[(Z)-4-[dimethyl(phenyl)silyl]oxypent-1-enyl]-5-[(Z)-4-phenylpent-1-enyl]phenyl]-1-phenylbut-3-enyl]-dimethyl-phenylsilane
PubChem CID161333703
Molecular FormulaC52H68O3Si4
Molecular Weight853.46 g/mol
Exact Mass852.42
IUPAC Namebis(dimethyl(oxo)silane);[(Z)-4-[3-[(Z)-4-[dimethyl(phenyl)silyl]oxypent-1-enyl]-5-[(Z)-4-phenylpent-1-enyl]phenyl]-1-phenylbut-3-enyl]-dimethyl-phenylsilane
SMILESCC(C/C=C\c1cc(/C=C\CC(C)c2ccccc2)cc(/C=C\CC(c2ccccc2)[Si](C)(C)c2ccccc2)c1)O[Si](C)(C)c1ccccc1.C[Si](C)=O.C[Si](C)=O
InChIInChI=1S/C48H56OSi2.2C2H6OSi/c1-39(44-27-11-7-12-28-44)22-19-24-41-36-42(25-20-23-40(2)49-51(5,6)47-33-17-10-18-34-47)38-43(37-41)26-21-35-48(45-29-13-8-14-30-45)50(3,4)46-31-15-9-16-32-46;2*1-4(2)3/h7-21,24-34,36-40,48H,22-23,35H2,1-6H3;2*1-2H3/b24-19-,25-20-,26-21-;;
InChIKeyVLTCYJIYVOLIJU-NHONSUFCSA-N
XLogP13.49
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500853.46
LogP ≤ 513.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(dimethyl(oxo)silane);[(Z)-4-[3-[(Z)-4-[dimethyl(phenyl)silyl]oxypent-1-enyl]-5-[(Z)-4-phenylpent-1-enyl]phenyl]-1-phenylbut-3-enyl]-dimethyl-phenylsilane?
The IUPAC name of bis(dimethyl(oxo)silane);[(Z)-4-[3-[(Z)-4-[dimethyl(phenyl)silyl]oxypent-1-enyl]-5-[(Z)-4-phenylpent-1-enyl]phenyl]-1-phenylbut-3-enyl]-dimethyl-phenylsilane (CID 161333703) is bis(dimethyl(oxo)silane);[(Z)-4-[3-[(Z)-4-[dimethyl(phenyl)silyl]oxypent-1-enyl]-5-[(Z)-4-phenylpent-1-enyl]phenyl]-1-phenylbut-3-enyl]-dimethyl-phenylsilane.
What is the SMILES notation for bis(dimethyl(oxo)silane);[(Z)-4-[3-[(Z)-4-[dimethyl(phenyl)silyl]oxypent-1-enyl]-5-[(Z)-4-phenylpent-1-enyl]phenyl]-1-phenylbut-3-enyl]-dimethyl-phenylsilane?
The canonical SMILES for bis(dimethyl(oxo)silane);[(Z)-4-[3-[(Z)-4-[dimethyl(phenyl)silyl]oxypent-1-enyl]-5-[(Z)-4-phenylpent-1-enyl]phenyl]-1-phenylbut-3-enyl]-dimethyl-phenylsilane is CC(C/C=C\c1cc(/C=C\CC(C)c2ccccc2)cc(/C=C\CC(c2ccccc2)[Si](C)(C)c2ccccc2)c1)O[Si](C)(C)c1ccccc1.C[Si](C)=O.C[Si](C)=O.
What is the InChIKey of bis(dimethyl(oxo)silane);[(Z)-4-[3-[(Z)-4-[dimethyl(phenyl)silyl]oxypent-1-enyl]-5-[(Z)-4-phenylpent-1-enyl]phenyl]-1-phenylbut-3-enyl]-dimethyl-phenylsilane?
The InChIKey is VLTCYJIYVOLIJU-NHONSUFCSA-N. The full InChI is InChI=1S/C48H56OSi2.2C2H6OSi/c1-39(44-27-11-7-12-28-44)22-19-24-41-36-42(25-20-23-40(2)49-51(5,6)47-33-17-10-18-34-47)38-43(37-41)26-21-35-48(45-29-13-8-14-30-45)50(3,4)46-31-15-9-16-32-46;2*1-4(2)3/h7-21,24-34,36-40,48H,22-23,35H2,1-6H3;2*1-2H3/b24-19-,25-20-,26-21-;;.
What are the key properties of bis(dimethyl(oxo)silane);[(Z)-4-[3-[(Z)-4-[dimethyl(phenyl)silyl]oxypent-1-enyl]-5-[(Z)-4-phenylpent-1-enyl]phenyl]-1-phenylbut-3-enyl]-dimethyl-phenylsilane?
bis(dimethyl(oxo)silane);[(Z)-4-[3-[(Z)-4-[dimethyl(phenyl)silyl]oxypent-1-enyl]-5-[(Z)-4-phenylpent-1-enyl]phenyl]-1-phenylbut-3-enyl]-dimethyl-phenylsilane has a molecular weight of 853.46 g/mol, XLogP of 13.49, 16 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(dimethyl(oxo)silane);[(Z)-4-[3-[(Z)-4-[dimethyl(phenyl)silyl]oxypent-1-enyl]-5-[(Z)-4-phenylpent-1-enyl]phenyl]-1-phenylbut-3-enyl]-dimethyl-phenylsilane is sourced from PubChem (CID 161333703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).