tert-butyl-dimethyl-[(E)-4-phenylmethoxybut-2-enoxy]silane

C17H28O2Si — CID 10062946

IUPACtert-butyl-dimethyl-[(E)-4-phenylmethoxybut-2-enoxy]silane
SMILESCC(C)(C)[Si](C)(C)OC/C=C/COCc1ccccc1
InChIInChI=1S/C17H28O2Si/c1-17(2,3)20(4,5)19-14-10-9-13-18-15-16-11-7-6-8-12-16/h6-12H,13-15H2,1-5H3/b10-9+
InChIKeyODRAJAVKOVULMH-MDZDMXLPSA-N
MW292.49 g/mol
LogP4.78
Rot. Bonds7

About tert-butyl-dimethyl-[(E)-4-phenylmethoxybut-2-enoxy]silane

tert-butyl-dimethyl-[(E)-4-phenylmethoxybut-2-enoxy]silane (PubChem CID 10062946) has the molecular formula C17H28O2Si and a molecular weight of 292.49 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(E)-4-phenylmethoxybut-2-enoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(E)-4-phenylmethoxybut-2-enoxy]silane
PubChem CID10062946
Molecular FormulaC17H28O2Si
Molecular Weight292.49 g/mol
Exact Mass292.19
IUPAC Nametert-butyl-dimethyl-[(E)-4-phenylmethoxybut-2-enoxy]silane
SMILESCC(C)(C)[Si](C)(C)OC/C=C/COCc1ccccc1
InChIInChI=1S/C17H28O2Si/c1-17(2,3)20(4,5)19-14-10-9-13-18-15-16-11-7-6-8-12-16/h6-12H,13-15H2,1-5H3/b10-9+
InChIKeyODRAJAVKOVULMH-MDZDMXLPSA-N
XLogP4.78
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.49
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Benzyl acetate
CID 8785
Benzyl ethyl ether
CID 10873
Benzyl butyl ether
CID 61134
(Diethoxymethyl)benzene
CID 69884
Benzyl methyl ether
CID 10869
1,4-Bis(Methoxymethyl)Benzene
CID 81239
Allyl benzyl ether
CID 84542
Benzyl octyl ether
CID 347508
Bis(1-phenylethyl) ether
CID 62342
Isoamyl benzyl ether
CID 31227
Benzene, (1-ethoxyethyl)-
CID 18693
Ethylene Glycol Dibenzyl Ether
CID 222542

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(E)-4-phenylmethoxybut-2-enoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[(E)-4-phenylmethoxybut-2-enoxy]silane (CID 10062946) is tert-butyl-dimethyl-[(E)-4-phenylmethoxybut-2-enoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[(E)-4-phenylmethoxybut-2-enoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[(E)-4-phenylmethoxybut-2-enoxy]silane is CC(C)(C)[Si](C)(C)OC/C=C/COCc1ccccc1.
What is the InChIKey of tert-butyl-dimethyl-[(E)-4-phenylmethoxybut-2-enoxy]silane?
The InChIKey is ODRAJAVKOVULMH-MDZDMXLPSA-N. The full InChI is InChI=1S/C17H28O2Si/c1-17(2,3)20(4,5)19-14-10-9-13-18-15-16-11-7-6-8-12-16/h6-12H,13-15H2,1-5H3/b10-9+.
What are the key properties of tert-butyl-dimethyl-[(E)-4-phenylmethoxybut-2-enoxy]silane?
tert-butyl-dimethyl-[(E)-4-phenylmethoxybut-2-enoxy]silane has a molecular weight of 292.49 g/mol, XLogP of 4.78, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(E)-4-phenylmethoxybut-2-enoxy]silane is sourced from PubChem (CID 10062946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).