(E,2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2,5-diphenylpent-4-en-1-ol

C23H32O2Si — CID 11545158

IUPAC(E,2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2,5-diphenylpent-4-en-1-ol
SMILESCC(C)(C)[Si](C)(C)O[C@H](/C=C/c1ccccc1)[C@@H](CO)c1ccccc1
InChIInChI=1S/C23H32O2Si/c1-23(2,3)26(4,5)25-22(17-16-19-12-8-6-9-13-19)21(18-24)20-14-10-7-11-15-20/h6-17,21-22,24H,18H2,1-5H3/b17-16+/t21-,22+/m0/s1
InChIKeyUVUVASVVIHXJRV-FYBNUODKSA-N
MW368.59 g/mol
LogP5.87
Rot. Bonds7

About (E,2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2,5-diphenylpent-4-en-1-ol

(E,2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2,5-diphenylpent-4-en-1-ol (PubChem CID 11545158) has the molecular formula C23H32O2Si and a molecular weight of 368.59 g/mol. Its IUPAC name is (E,2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2,5-diphenylpent-4-en-1-ol.

Molecular Properties

Compound Name(E,2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2,5-diphenylpent-4-en-1-ol
PubChem CID11545158
Molecular FormulaC23H32O2Si
Molecular Weight368.59 g/mol
Exact Mass368.22
IUPAC Name(E,2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2,5-diphenylpent-4-en-1-ol
SMILESCC(C)(C)[Si](C)(C)O[C@H](/C=C/c1ccccc1)[C@@H](CO)c1ccccc1
InChIInChI=1S/C23H32O2Si/c1-23(2,3)26(4,5)25-22(17-16-19-12-8-6-9-13-19)21(18-24)20-14-10-7-11-15-20/h6-17,21-22,24H,18H2,1-5H3/b17-16+/t21-,22+/m0/s1
InChIKeyUVUVASVVIHXJRV-FYBNUODKSA-N
XLogP5.87
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.59
LogP ≤ 55.87
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

(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
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-[(1E,3R,4S,5Z)-5-hexylsulfanyl-4-methyl-1-phenylhepta-1,5-dien-3-yl]oxy-dimethylsilane
CID 102354642
tert-butyl-[(E)-2,3-dibromo-5-phenylpent-4-enoxy]-dimethylsilane
CID 169094383
(E)-5-[tert-butyl(dimethyl)silyl]oxy-5-ethoxy-4,4-dimethyl-1-phenylpent-1-en-3-ol
CID 14894503
tert-butyl-dimethyl-[(3S)-4-phenylpent-1-en-3-yl]oxysilane
CID 154488375
ethyl (E,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-6-nitro-5-phenylhex-2-enoate
CID 50906502
(2R)-2-[[(1E,3S,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-phenylhexa-1,5-dien-3-yl]amino]-2-phenylethanol
CID 46868612
tert-butyl-[(Z,1S)-1,3-diphenylprop-2-enyl]-dimethylsilane
CID 102432622
tert-butyl-[(Z,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-6-phenylhex-5-enoxy]-dimethylsilane
CID 177383661

Frequently Asked Questions

What is the IUPAC name of (E,2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2,5-diphenylpent-4-en-1-ol?
The IUPAC name of (E,2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2,5-diphenylpent-4-en-1-ol (CID 11545158) is (E,2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2,5-diphenylpent-4-en-1-ol.
What is the SMILES notation for (E,2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2,5-diphenylpent-4-en-1-ol?
The canonical SMILES for (E,2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2,5-diphenylpent-4-en-1-ol is CC(C)(C)[Si](C)(C)O[C@H](/C=C/c1ccccc1)[C@@H](CO)c1ccccc1.
What is the InChIKey of (E,2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2,5-diphenylpent-4-en-1-ol?
The InChIKey is UVUVASVVIHXJRV-FYBNUODKSA-N. The full InChI is InChI=1S/C23H32O2Si/c1-23(2,3)26(4,5)25-22(17-16-19-12-8-6-9-13-19)21(18-24)20-14-10-7-11-15-20/h6-17,21-22,24H,18H2,1-5H3/b17-16+/t21-,22+/m0/s1.
What are the key properties of (E,2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2,5-diphenylpent-4-en-1-ol?
(E,2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2,5-diphenylpent-4-en-1-ol has a molecular weight of 368.59 g/mol, XLogP of 5.87, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2,5-diphenylpent-4-en-1-ol is sourced from PubChem (CID 11545158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).