tert-butyl-dimethyl-(2-methylidene-1-phenylbut-3-enoxy)silane

C17H26OSi — CID 11747769

IUPACtert-butyl-dimethyl-(2-methylidene-1-phenylbut-3-enoxy)silane
SMILESC=CC(=C)C(O[Si](C)(C)C(C)(C)C)c1ccccc1
InChIInChI=1S/C17H26OSi/c1-8-14(2)16(15-12-10-9-11-13-15)18-19(6,7)17(3,4)5/h8-13,16H,1-2H2,3-7H3
InChIKeyADQVYANANWBVRO-UHFFFAOYSA-N
MW274.48 g/mol
LogP5.49
Rot. Bonds5

About tert-butyl-dimethyl-(2-methylidene-1-phenylbut-3-enoxy)silane

tert-butyl-dimethyl-(2-methylidene-1-phenylbut-3-enoxy)silane (PubChem CID 11747769) has the molecular formula C17H26OSi and a molecular weight of 274.48 g/mol. Its IUPAC name is tert-butyl-dimethyl-(2-methylidene-1-phenylbut-3-enoxy)silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-(2-methylidene-1-phenylbut-3-enoxy)silane
PubChem CID11747769
Molecular FormulaC17H26OSi
Molecular Weight274.48 g/mol
Exact Mass274.18
IUPAC Nametert-butyl-dimethyl-(2-methylidene-1-phenylbut-3-enoxy)silane
SMILESC=CC(=C)C(O[Si](C)(C)C(C)(C)C)c1ccccc1
InChIInChI=1S/C17H26OSi/c1-8-14(2)16(15-12-10-9-11-13-15)18-19(6,7)17(3,4)5/h8-13,16H,1-2H2,3-7H3
InChIKeyADQVYANANWBVRO-UHFFFAOYSA-N
XLogP5.49
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.48
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Benzyloxytrimethylsilane
CID 518982
Benzene, [1-[(trimethylsilyl)oxy]ethenyl]-
CID 117406
(1-Methoxyethyl)benzene
CID 19913
O-(1-phenylethyl)hydroxylamine hydrochloride
CID 202941
2-Phenyl-2-((trimethylsilyl)oxy)acetonitrile
CID 605484
(3,4-Dihydro-1-naphthyloxy)trimethylsilane
CID 4245325
Tert-butyl[(4-iodophenyl)methoxy]dimethylsilane
CID 10020633
1,1-Dimethyl-1,3-dihydrobenzo[c][1,2]oxasilole
CID 13085174
Ethylbenzene hydroperoxide
CID 92189
Silane, trimethyl(2-phenylethoxy)-
CID 518978
Silane, (2-chloroethyl)methylbis(phenylmethoxy)-
CID 94518
O-(1-phenylethyl)hydroxylamine
CID 202942

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-(2-methylidene-1-phenylbut-3-enoxy)silane?
The IUPAC name of tert-butyl-dimethyl-(2-methylidene-1-phenylbut-3-enoxy)silane (CID 11747769) is tert-butyl-dimethyl-(2-methylidene-1-phenylbut-3-enoxy)silane.
What is the SMILES notation for tert-butyl-dimethyl-(2-methylidene-1-phenylbut-3-enoxy)silane?
The canonical SMILES for tert-butyl-dimethyl-(2-methylidene-1-phenylbut-3-enoxy)silane is C=CC(=C)C(O[Si](C)(C)C(C)(C)C)c1ccccc1.
What is the InChIKey of tert-butyl-dimethyl-(2-methylidene-1-phenylbut-3-enoxy)silane?
The InChIKey is ADQVYANANWBVRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26OSi/c1-8-14(2)16(15-12-10-9-11-13-15)18-19(6,7)17(3,4)5/h8-13,16H,1-2H2,3-7H3.
What are the key properties of tert-butyl-dimethyl-(2-methylidene-1-phenylbut-3-enoxy)silane?
tert-butyl-dimethyl-(2-methylidene-1-phenylbut-3-enoxy)silane has a molecular weight of 274.48 g/mol, XLogP of 5.49, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-(2-methylidene-1-phenylbut-3-enoxy)silane is sourced from PubChem (CID 11747769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).