[(1E)-1-(2,2-ditert-butyl-5-methyl-5-phenyloxasilolan-4-ylidene)ethyl]-trimethylsilane

C23H40OSi2 — CID 101474219

IUPAC[(1E)-1-(2,2-ditert-butyl-5-methyl-5-phenyloxasilolan-4-ylidene)ethyl]-trimethylsilane
SMILESC/C(=C1\C[Si](C(C)(C)C)(C(C)(C)C)OC1(C)c1ccccc1)[Si](C)(C)C
InChIInChI=1S/C23H40OSi2/c1-18(25(9,10)11)20-17-26(21(2,3)4,22(5,6)7)24-23(20,8)19-15-13-12-14-16-19/h12-16H,17H2,1-11H3/b20-18-
InChIKeyWOLQLVVRFGFYNO-ZZEZOPTASA-N
MW388.74 g/mol
LogP7.67
Rot. Bonds2

About [(1E)-1-(2,2-ditert-butyl-5-methyl-5-phenyloxasilolan-4-ylidene)ethyl]-trimethylsilane

[(1E)-1-(2,2-ditert-butyl-5-methyl-5-phenyloxasilolan-4-ylidene)ethyl]-trimethylsilane (PubChem CID 101474219) has the molecular formula C23H40OSi2 and a molecular weight of 388.74 g/mol. Its IUPAC name is [(1E)-1-(2,2-ditert-butyl-5-methyl-5-phenyloxasilolan-4-ylidene)ethyl]-trimethylsilane.

Molecular Properties

Compound Name[(1E)-1-(2,2-ditert-butyl-5-methyl-5-phenyloxasilolan-4-ylidene)ethyl]-trimethylsilane
PubChem CID101474219
Molecular FormulaC23H40OSi2
Molecular Weight388.74 g/mol
Exact Mass388.26
IUPAC Name[(1E)-1-(2,2-ditert-butyl-5-methyl-5-phenyloxasilolan-4-ylidene)ethyl]-trimethylsilane
SMILESC/C(=C1\C[Si](C(C)(C)C)(C(C)(C)C)OC1(C)c1ccccc1)[Si](C)(C)C
InChIInChI=1S/C23H40OSi2/c1-18(25(9,10)11)20-17-26(21(2,3)4,22(5,6)7)24-23(20,8)19-15-13-12-14-16-19/h12-16H,17H2,1-11H3/b20-18-
InChIKeyWOLQLVVRFGFYNO-ZZEZOPTASA-N
XLogP7.67
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.74
LogP ≤ 57.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[(1Z)-1-[(5S)-2,2-ditert-butyl-5-methyl-5-phenyloxasilolan-4-ylidene]ethyl]-trimethylsilane
CID 139038261
(2S)-2-methyl-2-phenyloxirane
CID 11629614
4-(2-deuterioethenyl)-5-methyl-5-phenyl-2H-furan
CID 101384462
2-tert-butyl-5-methyl-5-phenyl-2H-1,3-oxazole
CID 15047542
trimethyl-(1-phenylcyclopropyl)silane
CID 5314804
(2R,5R)-2,5-dimethyl-2,5-diphenyl-1,4-dioxane
CID 1203325
trimethyl-[(2S)-2-phenyloxiran-2-yl]silane
CID 135037115
2-(3-phenyl-1-bicyclo[1.1.1]pentanyl)propan-2-ol
CID 15579859
(6Z)-7-ethenyl-8-methyl-8-phenyl-2,3,4,5-tetrahydrooxocine
CID 122395889
trimethyl-(2-methyl-2-phenyl-3-propan-2-ylideneaziridin-1-yl)silane
CID 13448793
1-(5-methyl-2,2-diphenyl-1,3-dioxan-5-yl)ethanone
CID 90221549
2,2-dimethyl-3-phenyloxetan-3-ol
CID 121217401

Frequently Asked Questions

What is the IUPAC name of [(1E)-1-(2,2-ditert-butyl-5-methyl-5-phenyloxasilolan-4-ylidene)ethyl]-trimethylsilane?
The IUPAC name of [(1E)-1-(2,2-ditert-butyl-5-methyl-5-phenyloxasilolan-4-ylidene)ethyl]-trimethylsilane (CID 101474219) is [(1E)-1-(2,2-ditert-butyl-5-methyl-5-phenyloxasilolan-4-ylidene)ethyl]-trimethylsilane.
What is the SMILES notation for [(1E)-1-(2,2-ditert-butyl-5-methyl-5-phenyloxasilolan-4-ylidene)ethyl]-trimethylsilane?
The canonical SMILES for [(1E)-1-(2,2-ditert-butyl-5-methyl-5-phenyloxasilolan-4-ylidene)ethyl]-trimethylsilane is C/C(=C1\C[Si](C(C)(C)C)(C(C)(C)C)OC1(C)c1ccccc1)[Si](C)(C)C.
What is the InChIKey of [(1E)-1-(2,2-ditert-butyl-5-methyl-5-phenyloxasilolan-4-ylidene)ethyl]-trimethylsilane?
The InChIKey is WOLQLVVRFGFYNO-ZZEZOPTASA-N. The full InChI is InChI=1S/C23H40OSi2/c1-18(25(9,10)11)20-17-26(21(2,3)4,22(5,6)7)24-23(20,8)19-15-13-12-14-16-19/h12-16H,17H2,1-11H3/b20-18-.
What are the key properties of [(1E)-1-(2,2-ditert-butyl-5-methyl-5-phenyloxasilolan-4-ylidene)ethyl]-trimethylsilane?
[(1E)-1-(2,2-ditert-butyl-5-methyl-5-phenyloxasilolan-4-ylidene)ethyl]-trimethylsilane has a molecular weight of 388.74 g/mol, XLogP of 7.67, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1E)-1-(2,2-ditert-butyl-5-methyl-5-phenyloxasilolan-4-ylidene)ethyl]-trimethylsilane is sourced from PubChem (CID 101474219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).