tert-butyl-[(E)-1-[dimethyl(2-phenylpropan-2-yl)silyl]-2-methylbut-2-enoxy]-dimethylsilane

C22H40OSi2 — CID 102184857

IUPACtert-butyl-[(E)-1-[dimethyl(2-phenylpropan-2-yl)silyl]-2-methylbut-2-enoxy]-dimethylsilane
SMILESC/C=C(\C)C(O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)c1ccccc1
InChIInChI=1S/C22H40OSi2/c1-12-18(2)20(23-25(10,11)21(3,4)5)24(8,9)22(6,7)19-16-14-13-15-17-19/h12-17,20H,1-11H3/b18-12+
InChIKeyDLEFMWNGKBQJTD-LDADJPATSA-N
MW376.73 g/mol
LogP7.11
Rot. Bonds6

About tert-butyl-[(E)-1-[dimethyl(2-phenylpropan-2-yl)silyl]-2-methylbut-2-enoxy]-dimethylsilane

tert-butyl-[(E)-1-[dimethyl(2-phenylpropan-2-yl)silyl]-2-methylbut-2-enoxy]-dimethylsilane (PubChem CID 102184857) has the molecular formula C22H40OSi2 and a molecular weight of 376.73 g/mol. Its IUPAC name is tert-butyl-[(E)-1-[dimethyl(2-phenylpropan-2-yl)silyl]-2-methylbut-2-enoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(E)-1-[dimethyl(2-phenylpropan-2-yl)silyl]-2-methylbut-2-enoxy]-dimethylsilane
PubChem CID102184857
Molecular FormulaC22H40OSi2
Molecular Weight376.73 g/mol
Exact Mass376.26
IUPAC Nametert-butyl-[(E)-1-[dimethyl(2-phenylpropan-2-yl)silyl]-2-methylbut-2-enoxy]-dimethylsilane
SMILESC/C=C(\C)C(O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)c1ccccc1
InChIInChI=1S/C22H40OSi2/c1-12-18(2)20(23-25(10,11)21(3,4)5)24(8,9)22(6,7)19-16-14-13-15-17-19/h12-17,20H,1-11H3/b18-12+
InChIKeyDLEFMWNGKBQJTD-LDADJPATSA-N
XLogP7.11
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.73
LogP ≤ 57.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3S,5S,7S)-7-[tert-butyl(dimethyl)silyl]oxy-8,8,8-triphenyloctane-3,5-diol
CID 57337365
(1E,3S,4S,5E)-4-[tert-butyl(dimethyl)silyl]oxy-1,6-diphenylhexa-1,5-dien-3-ol
CID 102328317
(Z,5R)-5-[tert-butyl(dimethyl)silyl]oxy-6-trityloxyhex-2-en-1-ol
CID 135015770
tert-butyl-dimethyl-[(Z)-1-phenylprop-1-enoxy]silane
CID 10377349
tert-butyl-dimethyl-[(2R)-1-phenylpropan-2-yl]oxysilane
CID 59920354
3-[[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]but-3-en-2-one
CID 102483532
2-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropan-1-amine
CID 14872266
tert-butyl-[(E,1S)-4-methoxy-1,4-diphenylbut-2-enoxy]-dimethylsilane
CID 101242327
tert-butyl-dimethyl-[(E,2S)-1,1,1-trifluoro-4-phenylbut-3-en-2-yl]oxysilane
CID 10980030
tert-butyl-[2,2-difluoro-1-(2-methylphenyl)ethoxy]-dimethylsilane
CID 56998132
tert-butyl-dimethyl-[(3S)-4-phenylpent-1-en-3-yl]oxysilane
CID 154488375
2-[tert-butyl(dimethyl)silyl]oxy-2,2-diphenylacetaldehyde
CID 10806072

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(E)-1-[dimethyl(2-phenylpropan-2-yl)silyl]-2-methylbut-2-enoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(E)-1-[dimethyl(2-phenylpropan-2-yl)silyl]-2-methylbut-2-enoxy]-dimethylsilane (CID 102184857) is tert-butyl-[(E)-1-[dimethyl(2-phenylpropan-2-yl)silyl]-2-methylbut-2-enoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(E)-1-[dimethyl(2-phenylpropan-2-yl)silyl]-2-methylbut-2-enoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(E)-1-[dimethyl(2-phenylpropan-2-yl)silyl]-2-methylbut-2-enoxy]-dimethylsilane is C/C=C(\C)C(O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)c1ccccc1.
What is the InChIKey of tert-butyl-[(E)-1-[dimethyl(2-phenylpropan-2-yl)silyl]-2-methylbut-2-enoxy]-dimethylsilane?
The InChIKey is DLEFMWNGKBQJTD-LDADJPATSA-N. The full InChI is InChI=1S/C22H40OSi2/c1-12-18(2)20(23-25(10,11)21(3,4)5)24(8,9)22(6,7)19-16-14-13-15-17-19/h12-17,20H,1-11H3/b18-12+.
What are the key properties of tert-butyl-[(E)-1-[dimethyl(2-phenylpropan-2-yl)silyl]-2-methylbut-2-enoxy]-dimethylsilane?
tert-butyl-[(E)-1-[dimethyl(2-phenylpropan-2-yl)silyl]-2-methylbut-2-enoxy]-dimethylsilane has a molecular weight of 376.73 g/mol, XLogP of 7.11, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(E)-1-[dimethyl(2-phenylpropan-2-yl)silyl]-2-methylbut-2-enoxy]-dimethylsilane is sourced from PubChem (CID 102184857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).