tert-butyl-dimethyl-[(E)-3-phenylbut-2-en-2-yl]oxysilane

C16H26OSi — CID 100917085

IUPACtert-butyl-dimethyl-[(E)-3-phenylbut-2-en-2-yl]oxysilane
SMILESC/C(O[Si](C)(C)C(C)(C)C)=C(/C)c1ccccc1
InChIInChI=1S/C16H26OSi/c1-13(15-11-9-8-10-12-15)14(2)17-18(6,7)16(3,4)5/h8-12H,1-7H3/b14-13+
InChIKeyPTYVANHTGBRQPD-BUHFOSPRSA-N
MW262.47 g/mol
LogP5.46
Rot. Bonds3

About tert-butyl-dimethyl-[(E)-3-phenylbut-2-en-2-yl]oxysilane

tert-butyl-dimethyl-[(E)-3-phenylbut-2-en-2-yl]oxysilane (PubChem CID 100917085) has the molecular formula C16H26OSi and a molecular weight of 262.47 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(E)-3-phenylbut-2-en-2-yl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(E)-3-phenylbut-2-en-2-yl]oxysilane
PubChem CID100917085
Molecular FormulaC16H26OSi
Molecular Weight262.47 g/mol
Exact Mass262.18
IUPAC Nametert-butyl-dimethyl-[(E)-3-phenylbut-2-en-2-yl]oxysilane
SMILESC/C(O[Si](C)(C)C(C)(C)C)=C(/C)c1ccccc1
InChIInChI=1S/C16H26OSi/c1-13(15-11-9-8-10-12-15)14(2)17-18(6,7)16(3,4)5/h8-12H,1-7H3/b14-13+
InChIKeyPTYVANHTGBRQPD-BUHFOSPRSA-N
XLogP5.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.47
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 11391374
tert-butyl-dimethyl-[(Z)-1-phenylprop-1-enoxy]silane
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tert-butyl-[(Z)-1,2-diphenylethenoxy]-dimethylsilane
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tert-butyl-dimethyl-[(Z)-1-phenyl-2-(trifluoromethoxy)ethenoxy]silane
CID 135012556
lithium tert-butyl-(2,2-diphenylethenoxy)-dimethylsilane
CID 10448479
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4,4-dimethyl-2-phenylpent-2-en-3-ol
CID 71336376
[tert-butyl(dimethyl)silyl] 2-phenylacetate
CID 528591
4-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-phenylbut-2-en-1-ol
CID 71416847
[tert-butyl(dimethyl)silyl] 2-sulfanylbenzoate
CID 554841
2-[tert-butyl(dimethyl)silyl]oxy-3-phenylprop-2-enal
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CID 14710921

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(E)-3-phenylbut-2-en-2-yl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[(E)-3-phenylbut-2-en-2-yl]oxysilane (CID 100917085) is tert-butyl-dimethyl-[(E)-3-phenylbut-2-en-2-yl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[(E)-3-phenylbut-2-en-2-yl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[(E)-3-phenylbut-2-en-2-yl]oxysilane is C/C(O[Si](C)(C)C(C)(C)C)=C(/C)c1ccccc1.
What is the InChIKey of tert-butyl-dimethyl-[(E)-3-phenylbut-2-en-2-yl]oxysilane?
The InChIKey is PTYVANHTGBRQPD-BUHFOSPRSA-N. The full InChI is InChI=1S/C16H26OSi/c1-13(15-11-9-8-10-12-15)14(2)17-18(6,7)16(3,4)5/h8-12H,1-7H3/b14-13+.
What are the key properties of tert-butyl-dimethyl-[(E)-3-phenylbut-2-en-2-yl]oxysilane?
tert-butyl-dimethyl-[(E)-3-phenylbut-2-en-2-yl]oxysilane has a molecular weight of 262.47 g/mol, XLogP of 5.46, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(E)-3-phenylbut-2-en-2-yl]oxysilane is sourced from PubChem (CID 100917085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).