(E)-2-methyl-4-triphenylsilylbut-3-en-2-ol

C23H24OSi — CID 10593584

IUPAC(E)-2-methyl-4-triphenylsilylbut-3-en-2-ol
SMILESCC(C)(O)/C=C/[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H24OSi/c1-23(2,24)18-19-25(20-12-6-3-7-13-20,21-14-8-4-9-15-21)22-16-10-5-11-17-22/h3-19,24H,1-2H3/b19-18+
InChIKeyPICMUNPWSJOMBE-VHEBQXMUSA-N
MW344.53 g/mol
LogP3.02
Rot. Bonds5

About (E)-2-methyl-4-triphenylsilylbut-3-en-2-ol

(E)-2-methyl-4-triphenylsilylbut-3-en-2-ol (PubChem CID 10593584) has the molecular formula C23H24OSi and a molecular weight of 344.53 g/mol. Its IUPAC name is (E)-2-methyl-4-triphenylsilylbut-3-en-2-ol.

Molecular Properties

Compound Name(E)-2-methyl-4-triphenylsilylbut-3-en-2-ol
PubChem CID10593584
Molecular FormulaC23H24OSi
Molecular Weight344.53 g/mol
Exact Mass344.16
IUPAC Name(E)-2-methyl-4-triphenylsilylbut-3-en-2-ol
SMILESCC(C)(O)/C=C/[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H24OSi/c1-23(2,24)18-19-25(20-12-6-3-7-13-20,21-14-8-4-9-15-21)22-16-10-5-11-17-22/h3-19,24H,1-2H3/b19-18+
InChIKeyPICMUNPWSJOMBE-VHEBQXMUSA-N
XLogP3.02
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.53
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[(1E,4Z)-hexa-1,4-dienyl]-triphenylsilane
CID 10903938
(4-methylphenyl)-diphenyl-[(E)-prop-1-enyl]silane
CID 101122697
(Z)-2-methyl-4-phenyltellanylbut-3-en-2-ol
CID 11543831
[(E)-3-methoxyprop-1-enyl]-triphenylsilane
CID 102399031
4-[(3-hydroxy-3-methylbut-1-ynyl)-methyl-phenylsilyl]-2-methylbut-3-yn-2-ol
CID 13211512
[(E)-1,3-bis(triphenylsilyl)prop-2-enyl]-triphenylsilane
CID 6156392
[tert-butyl(diphenyl)silyl]methanediol
CID 166018796
tert-butyl-(tert-butyl-phenyl-sulfanylsilyl)-phenyl-sulfanylsilane
CID 11146477
(2R,3R)-2-[dimethyl(phenyl)silyl]-3-methylpent-4-en-2-ol
CID 102406326
2-methyl-6-phenylhex-3-en-2-ol
CID 73102528
triphenyl-[2-[5-(2-triphenylsilylethenyl)thiophen-2-yl]ethenyl]silane
CID 59955085
(E)-5,5,5-trifluoro-2-phenylpent-3-en-2-ol
CID 169226625

Frequently Asked Questions

What is the IUPAC name of (E)-2-methyl-4-triphenylsilylbut-3-en-2-ol?
The IUPAC name of (E)-2-methyl-4-triphenylsilylbut-3-en-2-ol (CID 10593584) is (E)-2-methyl-4-triphenylsilylbut-3-en-2-ol.
What is the SMILES notation for (E)-2-methyl-4-triphenylsilylbut-3-en-2-ol?
The canonical SMILES for (E)-2-methyl-4-triphenylsilylbut-3-en-2-ol is CC(C)(O)/C=C/[Si](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (E)-2-methyl-4-triphenylsilylbut-3-en-2-ol?
The InChIKey is PICMUNPWSJOMBE-VHEBQXMUSA-N. The full InChI is InChI=1S/C23H24OSi/c1-23(2,24)18-19-25(20-12-6-3-7-13-20,21-14-8-4-9-15-21)22-16-10-5-11-17-22/h3-19,24H,1-2H3/b19-18+.
What are the key properties of (E)-2-methyl-4-triphenylsilylbut-3-en-2-ol?
(E)-2-methyl-4-triphenylsilylbut-3-en-2-ol has a molecular weight of 344.53 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-methyl-4-triphenylsilylbut-3-en-2-ol is sourced from PubChem (CID 10593584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).