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

C16H26OSi — CID 11230810

IUPACtert-butyl-dimethyl-(1-phenylbut-3-enoxy)silane
SMILESC=CCC(O[Si](C)(C)C(C)(C)C)c1ccccc1
InChIInChI=1S/C16H26OSi/c1-7-11-15(14-12-9-8-10-13-14)17-18(5,6)16(2,3)4/h7-10,12-13,15H,1,11H2,2-6H3
InChIKeyHQEQHSSHKFCSTG-UHFFFAOYSA-N
MW262.47 g/mol
LogP5.33
Rot. Bonds5

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

tert-butyl-dimethyl-(1-phenylbut-3-enoxy)silane (PubChem CID 11230810) has the molecular formula C16H26OSi and a molecular weight of 262.47 g/mol. Its IUPAC name is tert-butyl-dimethyl-(1-phenylbut-3-enoxy)silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-(1-phenylbut-3-enoxy)silane
PubChem CID11230810
Molecular FormulaC16H26OSi
Molecular Weight262.47 g/mol
Exact Mass262.18
IUPAC Nametert-butyl-dimethyl-(1-phenylbut-3-enoxy)silane
SMILESC=CCC(O[Si](C)(C)C(C)(C)C)c1ccccc1
InChIInChI=1S/C16H26OSi/c1-7-11-15(14-12-9-8-10-13-14)17-18(5,6)16(2,3)4/h7-10,12-13,15H,1,11H2,2-6H3
InChIKeyHQEQHSSHKFCSTG-UHFFFAOYSA-N
XLogP5.33
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.47
LogP ≤ 55.33
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

chloromethyl-dimethyl-(1-phenylbut-3-enoxy)silane
CID 10729668
trimethyl-[(S)-phenyl-[(1S)-1-phenylbut-3-enoxy]methyl]silane
CID 15532498
(1R,3S,4S)-1-[tert-butyl(dimethyl)silyl]oxy-4-methyl-1-phenylhex-5-en-3-ol
CID 101047793
tert-butyl-(3,3-dibromo-1-phenylpropoxy)-dimethylsilane
CID 15262613
(1S,2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-1-chloro-1-phenylhex-5-en-3-ol
CID 134851798
[(E)-4-(benzenesulfonyl)-1-phenylbut-3-enoxy]-tert-butyl-dimethylsilane
CID 15534325
CID 10779896
CID 10779896
methyl (2R)-2-[(S)-[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]pent-4-enoate
CID 101058399
tert-butyl-dimethyl-[(3S)-4-phenylpent-1-en-3-yl]oxysilane
CID 154488375
[(1S)-2-azido-1-phenylethoxy]-tert-butyl-dimethylsilane
CID 22867082
tert-butyl-[8-[tert-butyl(dimethyl)silyl]oxy-1-phenyloctoxy]-dimethylsilane
CID 10789748
tert-butyl-dimethyl-[(1R,2E)-1-phenylpenta-2,4-dienoxy]silane
CID 100919695

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-(1-phenylbut-3-enoxy)silane?
The IUPAC name of tert-butyl-dimethyl-(1-phenylbut-3-enoxy)silane (CID 11230810) is tert-butyl-dimethyl-(1-phenylbut-3-enoxy)silane.
What is the SMILES notation for tert-butyl-dimethyl-(1-phenylbut-3-enoxy)silane?
The canonical SMILES for tert-butyl-dimethyl-(1-phenylbut-3-enoxy)silane is C=CCC(O[Si](C)(C)C(C)(C)C)c1ccccc1.
What is the InChIKey of tert-butyl-dimethyl-(1-phenylbut-3-enoxy)silane?
The InChIKey is HQEQHSSHKFCSTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26OSi/c1-7-11-15(14-12-9-8-10-13-14)17-18(5,6)16(2,3)4/h7-10,12-13,15H,1,11H2,2-6H3.
What are the key properties of tert-butyl-dimethyl-(1-phenylbut-3-enoxy)silane?
tert-butyl-dimethyl-(1-phenylbut-3-enoxy)silane has a molecular weight of 262.47 g/mol, XLogP of 5.33, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-(1-phenylbut-3-enoxy)silane is sourced from PubChem (CID 11230810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).