tert-butyl-[3-methyl-2-[(E)-2-phenylmethoxyethenyl]but-2-enoxy]-diphenylsilane

C30H36O2Si — CID 11317038

IUPACtert-butyl-[3-methyl-2-[(E)-2-phenylmethoxyethenyl]but-2-enoxy]-diphenylsilane
SMILESCC(C)=C(/C=C/OCc1ccccc1)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C30H36O2Si/c1-25(2)27(21-22-31-23-26-15-9-6-10-16-26)24-32-33(30(3,4)5,28-17-11-7-12-18-28)29-19-13-8-14-20-29/h6-22H,23-24H2,1-5H3/b22-21+
InChIKeyUHFAMZSFYDFAFU-QURGRASLSA-N
MW456.70 g/mol
LogP6.63
Rot. Bonds9

About tert-butyl-[3-methyl-2-[(E)-2-phenylmethoxyethenyl]but-2-enoxy]-diphenylsilane

tert-butyl-[3-methyl-2-[(E)-2-phenylmethoxyethenyl]but-2-enoxy]-diphenylsilane (PubChem CID 11317038) has the molecular formula C30H36O2Si and a molecular weight of 456.70 g/mol. Its IUPAC name is tert-butyl-[3-methyl-2-[(E)-2-phenylmethoxyethenyl]but-2-enoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[3-methyl-2-[(E)-2-phenylmethoxyethenyl]but-2-enoxy]-diphenylsilane
PubChem CID11317038
Molecular FormulaC30H36O2Si
Molecular Weight456.70 g/mol
Exact Mass456.25
IUPAC Nametert-butyl-[3-methyl-2-[(E)-2-phenylmethoxyethenyl]but-2-enoxy]-diphenylsilane
SMILESCC(C)=C(/C=C/OCc1ccccc1)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C30H36O2Si/c1-25(2)27(21-22-31-23-26-15-9-6-10-16-26)24-32-33(30(3,4)5,28-17-11-7-12-18-28)29-19-13-8-14-20-29/h6-22H,23-24H2,1-5H3/b22-21+
InChIKeyUHFAMZSFYDFAFU-QURGRASLSA-N
XLogP6.63
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.70
LogP ≤ 56.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(E)-4-[tert-butyl(diphenyl)silyl]oxy-3-methylbut-2-en-1-ol
CID 46192380
1-[tert-butyl(diphenyl)silyl]oxy-3-phenylpropan-2-one
CID 91136770
2-[tert-butyl(diphenyl)silyl]oxyacetic acid
CID 11141564
tert-butyl-(2-chloroprop-2-enoxy)-diphenylsilane
CID 138969032
tert-butyl-[(Z)-2-methylhex-2-enoxy]-diphenylsilane
CID 71217058
tert-butyl-[(4-tert-butylphenyl)methoxy]-diphenylsilane
CID 135028969
(E,2S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]pent-3-en-2-ol
CID 44542246
O-[(E)-4-[tert-butyl(diphenyl)silyl]oxy-3-methylbut-2-enyl]hydroxylamine
CID 24808385
2-[[tert-butyl(diphenyl)silyl]oxymethyl]prop-2-enoic acid
CID 67253789
[3-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-phenylmethoxyphenyl]methanol
CID 69313641
[4-[tert-butyl(diphenyl)silyl]oxy-3-methylbut-2-enyl] dihydrogen phosphate
CID 175564241
4-[2-[[tert-butyl(diphenyl)silyl]oxymethyl]prop-2-enyl]phenol
CID 72713425

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[3-methyl-2-[(E)-2-phenylmethoxyethenyl]but-2-enoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[3-methyl-2-[(E)-2-phenylmethoxyethenyl]but-2-enoxy]-diphenylsilane (CID 11317038) is tert-butyl-[3-methyl-2-[(E)-2-phenylmethoxyethenyl]but-2-enoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[3-methyl-2-[(E)-2-phenylmethoxyethenyl]but-2-enoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[3-methyl-2-[(E)-2-phenylmethoxyethenyl]but-2-enoxy]-diphenylsilane is CC(C)=C(/C=C/OCc1ccccc1)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of tert-butyl-[3-methyl-2-[(E)-2-phenylmethoxyethenyl]but-2-enoxy]-diphenylsilane?
The InChIKey is UHFAMZSFYDFAFU-QURGRASLSA-N. The full InChI is InChI=1S/C30H36O2Si/c1-25(2)27(21-22-31-23-26-15-9-6-10-16-26)24-32-33(30(3,4)5,28-17-11-7-12-18-28)29-19-13-8-14-20-29/h6-22H,23-24H2,1-5H3/b22-21+.
What are the key properties of tert-butyl-[3-methyl-2-[(E)-2-phenylmethoxyethenyl]but-2-enoxy]-diphenylsilane?
tert-butyl-[3-methyl-2-[(E)-2-phenylmethoxyethenyl]but-2-enoxy]-diphenylsilane has a molecular weight of 456.70 g/mol, XLogP of 6.63, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[3-methyl-2-[(E)-2-phenylmethoxyethenyl]but-2-enoxy]-diphenylsilane is sourced from PubChem (CID 11317038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).