(2Z)-2-benzylidene-4-[tert-butyl(dimethyl)silyl]-1,1-diphenylbut-3-yn-1-ol

C29H32OSi — CID 16756347

IUPAC(2Z)-2-benzylidene-4-[tert-butyl(dimethyl)silyl]-1,1-diphenylbut-3-yn-1-ol
SMILESCC(C)(C)[Si](C)(C)C#C/C(=C/c1ccccc1)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H32OSi/c1-28(2,3)31(4,5)22-21-27(23-24-15-9-6-10-16-24)29(30,25-17-11-7-12-18-25)26-19-13-8-14-20-26/h6-20,23,30H,1-5H3/b27-23-
InChIKeyHCVDLJRAMIBRGO-VYIQYICTSA-N
MW424.66 g/mol
LogP7.06
Rot. Bonds4

About (2Z)-2-benzylidene-4-[tert-butyl(dimethyl)silyl]-1,1-diphenylbut-3-yn-1-ol

(2Z)-2-benzylidene-4-[tert-butyl(dimethyl)silyl]-1,1-diphenylbut-3-yn-1-ol (PubChem CID 16756347) has the molecular formula C29H32OSi and a molecular weight of 424.66 g/mol. Its IUPAC name is (2Z)-2-benzylidene-4-[tert-butyl(dimethyl)silyl]-1,1-diphenylbut-3-yn-1-ol.

Molecular Properties

Compound Name(2Z)-2-benzylidene-4-[tert-butyl(dimethyl)silyl]-1,1-diphenylbut-3-yn-1-ol
PubChem CID16756347
Molecular FormulaC29H32OSi
Molecular Weight424.66 g/mol
Exact Mass424.22
IUPAC Name(2Z)-2-benzylidene-4-[tert-butyl(dimethyl)silyl]-1,1-diphenylbut-3-yn-1-ol
SMILESCC(C)(C)[Si](C)(C)C#C/C(=C/c1ccccc1)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H32OSi/c1-28(2,3)31(4,5)22-21-27(23-24-15-9-6-10-16-24)29(30,25-17-11-7-12-18-25)26-19-13-8-14-20-26/h6-20,23,30H,1-5H3/b27-23-
InChIKeyHCVDLJRAMIBRGO-VYIQYICTSA-N
XLogP7.06
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.66
LogP ≤ 57.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl-[(E)-3,4-diphenylbut-3-en-1-ynyl]-dimethylsilane
CID 102080744
tert-butyl-[(Z)-3-(methoxymethyl)-4-phenylbut-3-en-1-ynyl]-dimethylsilane
CID 102296200
(1E,4Z)-3-[2-[tert-butyl(dimethyl)silyl]ethynyl]-1-phenylhexa-1,4-dien-3-ol
CID 101446464
(1E)-3-[2-[tert-butyl(dimethyl)silyl]ethynyl]-1-phenylhexa-1,4-dien-3-ol
CID 134940588
N-[(2Z)-2-benzylidene-4-[tert-butyl(dimethyl)silyl]but-3-ynyl]benzamide
CID 101468566
(Z)-2-methyl-6-phenyl-5-trimethylsilylhex-5-en-3-yn-2-ol
CID 56840260
tert-butyl-dimethyl-(2-phenylethynyl)silane
CID 11127691
tert-butyl-[(E)-6-[tert-butyl(dimethyl)silyl]-3,4-bis(methylsulfanyl)hex-3-en-1,5-diynyl]-dimethylsilane
CID 10810782
(E)-4-phenyl-2-trimethylsilylbut-3-en-2-ol
CID 102406299
[tert-butyl(dimethyl)silyl]-diphenylmethanol
CID 102010999
3-[tert-butyl(dimethyl)silyl]-1-phenylprop-2-yn-1-ol
CID 2760369
[(E)-3,4-diphenylbut-3-en-1-ynyl]-trimethylsilane
CID 135024613

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-benzylidene-4-[tert-butyl(dimethyl)silyl]-1,1-diphenylbut-3-yn-1-ol?
The IUPAC name of (2Z)-2-benzylidene-4-[tert-butyl(dimethyl)silyl]-1,1-diphenylbut-3-yn-1-ol (CID 16756347) is (2Z)-2-benzylidene-4-[tert-butyl(dimethyl)silyl]-1,1-diphenylbut-3-yn-1-ol.
What is the SMILES notation for (2Z)-2-benzylidene-4-[tert-butyl(dimethyl)silyl]-1,1-diphenylbut-3-yn-1-ol?
The canonical SMILES for (2Z)-2-benzylidene-4-[tert-butyl(dimethyl)silyl]-1,1-diphenylbut-3-yn-1-ol is CC(C)(C)[Si](C)(C)C#C/C(=C/c1ccccc1)C(O)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2Z)-2-benzylidene-4-[tert-butyl(dimethyl)silyl]-1,1-diphenylbut-3-yn-1-ol?
The InChIKey is HCVDLJRAMIBRGO-VYIQYICTSA-N. The full InChI is InChI=1S/C29H32OSi/c1-28(2,3)31(4,5)22-21-27(23-24-15-9-6-10-16-24)29(30,25-17-11-7-12-18-25)26-19-13-8-14-20-26/h6-20,23,30H,1-5H3/b27-23-.
What are the key properties of (2Z)-2-benzylidene-4-[tert-butyl(dimethyl)silyl]-1,1-diphenylbut-3-yn-1-ol?
(2Z)-2-benzylidene-4-[tert-butyl(dimethyl)silyl]-1,1-diphenylbut-3-yn-1-ol has a molecular weight of 424.66 g/mol, XLogP of 7.06, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-benzylidene-4-[tert-butyl(dimethyl)silyl]-1,1-diphenylbut-3-yn-1-ol is sourced from PubChem (CID 16756347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).