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

C16H26O2Si — CID 11587217

IUPAC(E)-1-[tert-butyl(dimethyl)silyl]oxy-4-phenylbut-3-en-2-ol
SMILESCC(C)(C)[Si](C)(C)OCC(O)/C=C/c1ccccc1
InChIInChI=1S/C16H26O2Si/c1-16(2,3)19(4,5)18-13-15(17)12-11-14-9-7-6-8-10-14/h6-12,15,17H,13H2,1-5H3/b12-11+
InChIKeyHTPUCFSRXMFBQB-VAWYXSNFSA-N
MW278.47 g/mol
LogP4.08
Rot. Bonds5

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

(E)-1-[tert-butyl(dimethyl)silyl]oxy-4-phenylbut-3-en-2-ol (PubChem CID 11587217) has the molecular formula C16H26O2Si and a molecular weight of 278.47 g/mol. Its IUPAC name is (E)-1-[tert-butyl(dimethyl)silyl]oxy-4-phenylbut-3-en-2-ol.

Molecular Properties

Compound Name(E)-1-[tert-butyl(dimethyl)silyl]oxy-4-phenylbut-3-en-2-ol
PubChem CID11587217
Molecular FormulaC16H26O2Si
Molecular Weight278.47 g/mol
Exact Mass278.17
IUPAC Name(E)-1-[tert-butyl(dimethyl)silyl]oxy-4-phenylbut-3-en-2-ol
SMILESCC(C)(C)[Si](C)(C)OCC(O)/C=C/c1ccccc1
InChIInChI=1S/C16H26O2Si/c1-16(2,3)19(4,5)18-13-15(17)12-11-14-9-7-6-8-10-14/h6-12,15,17H,13H2,1-5H3/b12-11+
InChIKeyHTPUCFSRXMFBQB-VAWYXSNFSA-N
XLogP4.08
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.47
LogP ≤ 54.08
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-[(E)-2,3-dibromo-5-phenylpent-4-enoxy]-dimethylsilane
CID 169094383
tert-butyl-[(Z,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-6-phenylhex-5-enoxy]-dimethylsilane
CID 177383661
(1E,3S,4S,5E)-4-[tert-butyl(dimethyl)silyl]oxy-1,6-diphenylhexa-1,5-dien-3-ol
CID 102328317
(E,3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylpent-4-en-1-ol
CID 101421938
(E)-5-[tert-butyl(dimethyl)silyl]oxy-5-ethoxy-4,4-dimethyl-1-phenylpent-1-en-3-ol
CID 14894503
tert-butyl-dimethyl-[(E,2S)-1,1,1-trifluoro-4-phenylbut-3-en-2-yl]oxysilane
CID 10980030
(E,2S)-1-[tert-butyl(dimethyl)silyl]oxy-5-trichlorostannylpent-3-en-2-ol
CID 10646755
(2R)-2-[[(1E,3S,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-phenylhexa-1,5-dien-3-yl]amino]-2-phenylethanol
CID 46868612
(E,3S)-1-phenylpent-1-en-3-ol
CID 10654561
tert-butyl-[3-[tert-butyl(dimethyl)silyl]oxy-1-phenyl-2-[(E)-2-phenylethenoxy]propoxy]-dimethylsilane
CID 134881253
(2-hydroxy-4-phenylbut-3-enyl) 2-methylprop-2-enoate
CID 54174138
(E,2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2,5-diphenylpent-4-en-1-ol
CID 11545158

Frequently Asked Questions

What is the IUPAC name of (E)-1-[tert-butyl(dimethyl)silyl]oxy-4-phenylbut-3-en-2-ol?
The IUPAC name of (E)-1-[tert-butyl(dimethyl)silyl]oxy-4-phenylbut-3-en-2-ol (CID 11587217) is (E)-1-[tert-butyl(dimethyl)silyl]oxy-4-phenylbut-3-en-2-ol.
What is the SMILES notation for (E)-1-[tert-butyl(dimethyl)silyl]oxy-4-phenylbut-3-en-2-ol?
The canonical SMILES for (E)-1-[tert-butyl(dimethyl)silyl]oxy-4-phenylbut-3-en-2-ol is CC(C)(C)[Si](C)(C)OCC(O)/C=C/c1ccccc1.
What is the InChIKey of (E)-1-[tert-butyl(dimethyl)silyl]oxy-4-phenylbut-3-en-2-ol?
The InChIKey is HTPUCFSRXMFBQB-VAWYXSNFSA-N. The full InChI is InChI=1S/C16H26O2Si/c1-16(2,3)19(4,5)18-13-15(17)12-11-14-9-7-6-8-10-14/h6-12,15,17H,13H2,1-5H3/b12-11+.
What are the key properties of (E)-1-[tert-butyl(dimethyl)silyl]oxy-4-phenylbut-3-en-2-ol?
(E)-1-[tert-butyl(dimethyl)silyl]oxy-4-phenylbut-3-en-2-ol has a molecular weight of 278.47 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[tert-butyl(dimethyl)silyl]oxy-4-phenylbut-3-en-2-ol is sourced from PubChem (CID 11587217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).