4-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-phenylbut-2-en-1-ol

C17H28O2Si — CID 71416847

IUPAC4-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-phenylbut-2-en-1-ol
SMILESCC(CO)=C(CO[Si](C)(C)C(C)(C)C)c1ccccc1
InChIInChI=1S/C17H28O2Si/c1-14(12-18)16(15-10-8-7-9-11-15)13-19-20(5,6)17(2,3)4/h7-11,18H,12-13H2,1-6H3
InChIKeyIJUDEEXOKAQMEK-UHFFFAOYSA-N
MW292.49 g/mol
LogP4.47
Rot. Bonds5

About 4-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-phenylbut-2-en-1-ol

4-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-phenylbut-2-en-1-ol (PubChem CID 71416847) has the molecular formula C17H28O2Si and a molecular weight of 292.49 g/mol. Its IUPAC name is 4-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-phenylbut-2-en-1-ol.

Molecular Properties

Compound Name4-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-phenylbut-2-en-1-ol
PubChem CID71416847
Molecular FormulaC17H28O2Si
Molecular Weight292.49 g/mol
Exact Mass292.19
IUPAC Name4-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-phenylbut-2-en-1-ol
SMILESCC(CO)=C(CO[Si](C)(C)C(C)(C)C)c1ccccc1
InChIInChI=1S/C17H28O2Si/c1-14(12-18)16(15-10-8-7-9-11-15)13-19-20(5,6)17(2,3)4/h7-11,18H,12-13H2,1-6H3
InChIKeyIJUDEEXOKAQMEK-UHFFFAOYSA-N
XLogP4.47
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.49
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-dimethyl-(2-methyl-1-phenylprop-1-enoxy)silane
CID 11391374
tert-butyl-dimethyl-[(E,2S)-2-methyl-4-phenylpent-3-enoxy]silane
CID 134979892
2-[tert-butyl(dimethyl)silyl]oxy-N,N-diphenylacetamide
CID 24809397
tert-butyl-dimethyl-[(E)-3-phenylbut-2-en-2-yl]oxysilane
CID 100917085
(2E)-2-methyl-3-phenylhexa-2,5-dien-1-ol
CID 16751532
[(Z)-4-bromo-5-[tert-butyl(dimethyl)silyl]oxypent-3-enyl] benzoate
CID 122384126
tert-butyl-dimethyl-(2-phenylethoxy)silane
CID 11128311
tert-butyl-[(2E)-2,6-dimethyl-9-phenylnona-2,6-dienoxy]-dimethylsilane
CID 59479992
(E)-2-bromo-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,4,4-trifluoro-1-phenylbut-2-en-1-ol
CID 177483049
CID 134873841
CID 134873841
tert-butyl-dimethyl-[[3-(1-phenylethenyl)phenyl]methoxy]silane
CID 86054113
2,3-diphenylbut-2-en-1-ol
CID 91085638

Frequently Asked Questions

What is the IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-phenylbut-2-en-1-ol?
The IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-phenylbut-2-en-1-ol (CID 71416847) is 4-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-phenylbut-2-en-1-ol.
What is the SMILES notation for 4-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-phenylbut-2-en-1-ol?
The canonical SMILES for 4-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-phenylbut-2-en-1-ol is CC(CO)=C(CO[Si](C)(C)C(C)(C)C)c1ccccc1.
What is the InChIKey of 4-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-phenylbut-2-en-1-ol?
The InChIKey is IJUDEEXOKAQMEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O2Si/c1-14(12-18)16(15-10-8-7-9-11-15)13-19-20(5,6)17(2,3)4/h7-11,18H,12-13H2,1-6H3.
What are the key properties of 4-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-phenylbut-2-en-1-ol?
4-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-phenylbut-2-en-1-ol has a molecular weight of 292.49 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-phenylbut-2-en-1-ol is sourced from PubChem (CID 71416847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).