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

C21H36O3Si — CID 14894503

IUPAC(E)-5-[tert-butyl(dimethyl)silyl]oxy-5-ethoxy-4,4-dimethyl-1-phenylpent-1-en-3-ol
SMILESCCOC(O[Si](C)(C)C(C)(C)C)C(C)(C)C(O)/C=C/c1ccccc1
InChIInChI=1S/C21H36O3Si/c1-9-23-19(24-25(7,8)20(2,3)4)21(5,6)18(22)16-15-17-13-11-10-12-14-17/h10-16,18-19,22H,9H2,1-8H3/b16-15+
InChIKeyAGACRSKJNKKQAL-FOCLMDBBSA-N
MW364.60 g/mol
LogP5.47
Rot. Bonds8

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

(E)-5-[tert-butyl(dimethyl)silyl]oxy-5-ethoxy-4,4-dimethyl-1-phenylpent-1-en-3-ol (PubChem CID 14894503) has the molecular formula C21H36O3Si and a molecular weight of 364.60 g/mol. Its IUPAC name is (E)-5-[tert-butyl(dimethyl)silyl]oxy-5-ethoxy-4,4-dimethyl-1-phenylpent-1-en-3-ol.

Molecular Properties

Compound Name(E)-5-[tert-butyl(dimethyl)silyl]oxy-5-ethoxy-4,4-dimethyl-1-phenylpent-1-en-3-ol
PubChem CID14894503
Molecular FormulaC21H36O3Si
Molecular Weight364.60 g/mol
Exact Mass364.24
IUPAC Name(E)-5-[tert-butyl(dimethyl)silyl]oxy-5-ethoxy-4,4-dimethyl-1-phenylpent-1-en-3-ol
SMILESCCOC(O[Si](C)(C)C(C)(C)C)C(C)(C)C(O)/C=C/c1ccccc1
InChIInChI=1S/C21H36O3Si/c1-9-23-19(24-25(7,8)20(2,3)4)21(5,6)18(22)16-15-17-13-11-10-12-14-17/h10-16,18-19,22H,9H2,1-8H3/b16-15+
InChIKeyAGACRSKJNKKQAL-FOCLMDBBSA-N
XLogP5.47
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.60
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(1E,3S,4S,5E)-4-[tert-butyl(dimethyl)silyl]oxy-1,6-diphenylhexa-1,5-dien-3-ol
CID 102328317
(E)-1-[tert-butyl(dimethyl)silyl]oxy-4-phenylbut-3-en-2-ol
CID 11587217
(E,3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylpent-4-en-1-ol
CID 101421938
tert-butyl-dimethyl-[(E,2S)-1,1,1-trifluoro-4-phenylbut-3-en-2-yl]oxysilane
CID 10980030
(E,2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2,5-diphenylpent-4-en-1-ol
CID 11545158
tert-butyl-dimethyl-[(E,2S)-1,1,1-trichloro-4-(4-ethylphenyl)but-3-en-2-yl]oxysilane
CID 10916217
tert-butyl-[2-iodo-1-[(E)-3-phenylprop-2-enoxy]ethoxy]-dimethylsilane
CID 10526047
(1E,3S,4S)-4-ethyl-4-methyl-1-phenylhexa-1,5-dien-3-ol
CID 100923978
tert-butyl-[(Z,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-6-phenylhex-5-enoxy]-dimethylsilane
CID 177383661
(E,2S)-1,1,1-tribromo-4-phenylbut-3-en-2-ol
CID 129409004
tert-butyl-[(1E,3R,4S,5Z)-5-hexylsulfanyl-4-methyl-1-phenylhepta-1,5-dien-3-yl]oxy-dimethylsilane
CID 102354642
(E,3R)-6,6-diethoxy-1-phenylhex-1-en-4-yn-3-ol
CID 101388650

Frequently Asked Questions

What is the IUPAC name of (E)-5-[tert-butyl(dimethyl)silyl]oxy-5-ethoxy-4,4-dimethyl-1-phenylpent-1-en-3-ol?
The IUPAC name of (E)-5-[tert-butyl(dimethyl)silyl]oxy-5-ethoxy-4,4-dimethyl-1-phenylpent-1-en-3-ol (CID 14894503) is (E)-5-[tert-butyl(dimethyl)silyl]oxy-5-ethoxy-4,4-dimethyl-1-phenylpent-1-en-3-ol.
What is the SMILES notation for (E)-5-[tert-butyl(dimethyl)silyl]oxy-5-ethoxy-4,4-dimethyl-1-phenylpent-1-en-3-ol?
The canonical SMILES for (E)-5-[tert-butyl(dimethyl)silyl]oxy-5-ethoxy-4,4-dimethyl-1-phenylpent-1-en-3-ol is CCOC(O[Si](C)(C)C(C)(C)C)C(C)(C)C(O)/C=C/c1ccccc1.
What is the InChIKey of (E)-5-[tert-butyl(dimethyl)silyl]oxy-5-ethoxy-4,4-dimethyl-1-phenylpent-1-en-3-ol?
The InChIKey is AGACRSKJNKKQAL-FOCLMDBBSA-N. The full InChI is InChI=1S/C21H36O3Si/c1-9-23-19(24-25(7,8)20(2,3)4)21(5,6)18(22)16-15-17-13-11-10-12-14-17/h10-16,18-19,22H,9H2,1-8H3/b16-15+.
What are the key properties of (E)-5-[tert-butyl(dimethyl)silyl]oxy-5-ethoxy-4,4-dimethyl-1-phenylpent-1-en-3-ol?
(E)-5-[tert-butyl(dimethyl)silyl]oxy-5-ethoxy-4,4-dimethyl-1-phenylpent-1-en-3-ol has a molecular weight of 364.60 g/mol, XLogP of 5.47, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-[tert-butyl(dimethyl)silyl]oxy-5-ethoxy-4,4-dimethyl-1-phenylpent-1-en-3-ol is sourced from PubChem (CID 14894503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).