(E,3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylpent-4-en-1-ol

C17H28O2Si — CID 101421938

IUPAC(E,3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylpent-4-en-1-ol
SMILESCC(C)(C)[Si](C)(C)O[C@@H](/C=C/c1ccccc1)CCO
InChIInChI=1S/C17H28O2Si/c1-17(2,3)20(4,5)19-16(13-14-18)12-11-15-9-7-6-8-10-15/h6-12,16,18H,13-14H2,1-5H3/b12-11+/t16-/m0/s1
InChIKeyILXUDJMJMSINEQ-PCUGXKRQSA-N
MW292.50 g/mol
LogP4.47
Rot. Bonds6

About (E,3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylpent-4-en-1-ol

(E,3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylpent-4-en-1-ol (PubChem CID 101421938) has the molecular formula C17H28O2Si and a molecular weight of 292.50 g/mol. Its IUPAC name is (E,3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylpent-4-en-1-ol.

Molecular Properties

Compound Name(E,3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylpent-4-en-1-ol
PubChem CID101421938
Molecular FormulaC17H28O2Si
Molecular Weight292.50 g/mol
Exact Mass292.19
IUPAC Name(E,3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylpent-4-en-1-ol
SMILESCC(C)(C)[Si](C)(C)O[C@@H](/C=C/c1ccccc1)CCO
InChIInChI=1S/C17H28O2Si/c1-17(2,3)20(4,5)19-16(13-14-18)12-11-15-9-7-6-8-10-15/h6-12,16,18H,13-14H2,1-5H3/b12-11+/t16-/m0/s1
InChIKeyILXUDJMJMSINEQ-PCUGXKRQSA-N
XLogP4.47
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.50
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

(E,2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2,5-diphenylpent-4-en-1-ol
CID 11545158
tert-butyl-dimethyl-[(E,3R)-5-(oxan-2-yloxy)-1-phenylpent-1-en-3-yl]oxysilane
CID 101421937
(1E,3S,4S,5E)-4-[tert-butyl(dimethyl)silyl]oxy-1,6-diphenylhexa-1,5-dien-3-ol
CID 102328317
tert-butyl-dimethyl-[(E,2S)-1,1,1-trifluoro-4-phenylbut-3-en-2-yl]oxysilane
CID 10980030
(E)-1-[tert-butyl(dimethyl)silyl]oxy-4-phenylbut-3-en-2-ol
CID 11587217
tert-butyl-[(Z,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-6-phenylhex-5-enoxy]-dimethylsilane
CID 177383661
(E)-5-[tert-butyl(dimethyl)silyl]oxy-5-ethoxy-4,4-dimethyl-1-phenylpent-1-en-3-ol
CID 14894503
(2R)-2-[tert-butyl(dimethyl)silyl]oxy-4-phenylbutan-1-ol
CID 139246891
2-[(E)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enyl]-2-[(E)-3-phenylprop-2-enyl]propane-1,3-diol
CID 16720182
tert-butyl-[(E)-2,3-dibromo-5-phenylpent-4-enoxy]-dimethylsilane
CID 169094383
[3-[3-[tert-butyl(diphenyl)silyl]oxyundec-1-enyl]phenyl]methanol
CID 54559685
tert-butyl-[2-iodo-1-[(E)-3-phenylprop-2-enoxy]ethoxy]-dimethylsilane
CID 10526047

Frequently Asked Questions

What is the IUPAC name of (E,3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylpent-4-en-1-ol?
The IUPAC name of (E,3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylpent-4-en-1-ol (CID 101421938) is (E,3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylpent-4-en-1-ol.
What is the SMILES notation for (E,3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylpent-4-en-1-ol?
The canonical SMILES for (E,3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylpent-4-en-1-ol is CC(C)(C)[Si](C)(C)O[C@@H](/C=C/c1ccccc1)CCO.
What is the InChIKey of (E,3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylpent-4-en-1-ol?
The InChIKey is ILXUDJMJMSINEQ-PCUGXKRQSA-N. The full InChI is InChI=1S/C17H28O2Si/c1-17(2,3)20(4,5)19-16(13-14-18)12-11-15-9-7-6-8-10-15/h6-12,16,18H,13-14H2,1-5H3/b12-11+/t16-/m0/s1.
What are the key properties of (E,3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylpent-4-en-1-ol?
(E,3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylpent-4-en-1-ol has a molecular weight of 292.50 g/mol, XLogP of 4.47, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylpent-4-en-1-ol is sourced from PubChem (CID 101421938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).