(4-benzhydrylidene-2-tert-butyloxetan-2-yl)oxy-tert-butyl-dimethylsilane

C26H36O2Si — CID 13293861

IUPAC(4-benzhydrylidene-2-tert-butyloxetan-2-yl)oxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)C1(O[Si](C)(C)C(C)(C)C)CC(=C(c2ccccc2)c2ccccc2)O1
InChIInChI=1S/C26H36O2Si/c1-24(2,3)26(28-29(7,8)25(4,5)6)19-22(27-26)23(20-15-11-9-12-16-20)21-17-13-10-14-18-21/h9-18H,19H2,1-8H3
InChIKeyWQUIHMZAKXTJJD-UHFFFAOYSA-N
MW408.66 g/mol
LogP7.63
Rot. Bonds4

About (4-benzhydrylidene-2-tert-butyloxetan-2-yl)oxy-tert-butyl-dimethylsilane

(4-benzhydrylidene-2-tert-butyloxetan-2-yl)oxy-tert-butyl-dimethylsilane (PubChem CID 13293861) has the molecular formula C26H36O2Si and a molecular weight of 408.66 g/mol. Its IUPAC name is (4-benzhydrylidene-2-tert-butyloxetan-2-yl)oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name(4-benzhydrylidene-2-tert-butyloxetan-2-yl)oxy-tert-butyl-dimethylsilane
PubChem CID13293861
Molecular FormulaC26H36O2Si
Molecular Weight408.66 g/mol
Exact Mass408.25
IUPAC Name(4-benzhydrylidene-2-tert-butyloxetan-2-yl)oxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)C1(O[Si](C)(C)C(C)(C)C)CC(=C(c2ccccc2)c2ccccc2)O1
InChIInChI=1S/C26H36O2Si/c1-24(2,3)26(28-29(7,8)25(4,5)6)19-22(27-26)23(20-15-11-9-12-16-20)21-17-13-10-14-18-21/h9-18H,19H2,1-8H3
InChIKeyWQUIHMZAKXTJJD-UHFFFAOYSA-N
XLogP7.63
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.66
LogP ≤ 57.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-dimethyl-(2-methyl-1-phenylprop-1-enoxy)silane
CID 11391374
5-benzhydrylidene-2-tert-butyl-4H-1,3-oxazole
CID 122207953
tert-butyl-dimethyl-[(Z)-1-phenylprop-1-enoxy]silane
CID 10377349
tert-butyl-dimethyl-[(E)-3-phenylbut-2-en-2-yl]oxysilane
CID 100917085
2-benzhydrylideneoxirane
CID 174764540
tert-butyl-(2,2-difluoro-3-methyl-1-phenylcyclopropyl)oxy-dimethylsilane
CID 162540016
lithium tert-butyl-(2,2-diphenylethenoxy)-dimethylsilane
CID 10448479
(1S,8S,9R)-1-[tert-butyl(dimethyl)silyl]oxy-10-methylidenetricyclo[7.3.1.02,7]trideca-2,4,6-trien-8-ol
CID 10980442
[(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl] benzoate
CID 177439885
tert-butyl-[(Z)-1,2-diphenylethenoxy]-dimethylsilane
CID 10358065
tert-butyl-dimethyl-[1-methyl-2-[(1R)-1-phenylpropyl]cyclopropyl]oxysilane
CID 10902806
[7a-[tert-butyl(dimethyl)silyl]oxy-3-(4-methoxyphenyl)-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]-phenylmethanone
CID 101428155

Frequently Asked Questions

What is the IUPAC name of (4-benzhydrylidene-2-tert-butyloxetan-2-yl)oxy-tert-butyl-dimethylsilane?
The IUPAC name of (4-benzhydrylidene-2-tert-butyloxetan-2-yl)oxy-tert-butyl-dimethylsilane (CID 13293861) is (4-benzhydrylidene-2-tert-butyloxetan-2-yl)oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for (4-benzhydrylidene-2-tert-butyloxetan-2-yl)oxy-tert-butyl-dimethylsilane?
The canonical SMILES for (4-benzhydrylidene-2-tert-butyloxetan-2-yl)oxy-tert-butyl-dimethylsilane is CC(C)(C)C1(O[Si](C)(C)C(C)(C)C)CC(=C(c2ccccc2)c2ccccc2)O1.
What is the InChIKey of (4-benzhydrylidene-2-tert-butyloxetan-2-yl)oxy-tert-butyl-dimethylsilane?
The InChIKey is WQUIHMZAKXTJJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36O2Si/c1-24(2,3)26(28-29(7,8)25(4,5)6)19-22(27-26)23(20-15-11-9-12-16-20)21-17-13-10-14-18-21/h9-18H,19H2,1-8H3.
What are the key properties of (4-benzhydrylidene-2-tert-butyloxetan-2-yl)oxy-tert-butyl-dimethylsilane?
(4-benzhydrylidene-2-tert-butyloxetan-2-yl)oxy-tert-butyl-dimethylsilane has a molecular weight of 408.66 g/mol, XLogP of 7.63, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzhydrylidene-2-tert-butyloxetan-2-yl)oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 13293861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).