tert-butyl-[(2S,3S)-3-[(1Z)-3-methylbuta-1,3-dienyl]oxiran-2-yl]-diphenylsilane

C23H28OSi — CID 102426679

IUPACtert-butyl-[(2S,3S)-3-[(1Z)-3-methylbuta-1,3-dienyl]oxiran-2-yl]-diphenylsilane
SMILESC=C(C)/C=C\[C@@H]1O[C@H]1[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C23H28OSi/c1-18(2)16-17-21-22(24-21)25(23(3,4)5,19-12-8-6-9-13-19)20-14-10-7-11-15-20/h6-17,21-22H,1H2,2-5H3/b17-16-/t21-,22-/m0/s1
InChIKeyYLCMJDIFKFZDJK-JNJZGVDNSA-N
MW348.56 g/mol
LogP4.49
Rot. Bonds5

About tert-butyl-[(2S,3S)-3-[(1Z)-3-methylbuta-1,3-dienyl]oxiran-2-yl]-diphenylsilane

tert-butyl-[(2S,3S)-3-[(1Z)-3-methylbuta-1,3-dienyl]oxiran-2-yl]-diphenylsilane (PubChem CID 102426679) has the molecular formula C23H28OSi and a molecular weight of 348.56 g/mol. Its IUPAC name is tert-butyl-[(2S,3S)-3-[(1Z)-3-methylbuta-1,3-dienyl]oxiran-2-yl]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[(2S,3S)-3-[(1Z)-3-methylbuta-1,3-dienyl]oxiran-2-yl]-diphenylsilane
PubChem CID102426679
Molecular FormulaC23H28OSi
Molecular Weight348.56 g/mol
Exact Mass348.19
IUPAC Nametert-butyl-[(2S,3S)-3-[(1Z)-3-methylbuta-1,3-dienyl]oxiran-2-yl]-diphenylsilane
SMILESC=C(C)/C=C\[C@@H]1O[C@H]1[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C23H28OSi/c1-18(2)16-17-21-22(24-21)25(23(3,4)5,19-12-8-6-9-13-19)20-14-10-7-11-15-20/h6-17,21-22H,1H2,2-5H3/b17-16-/t21-,22-/m0/s1
InChIKeyYLCMJDIFKFZDJK-JNJZGVDNSA-N
XLogP4.49
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.56
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

methyl (E)-3-[(2S,3S)-3-[tert-butyl(diphenyl)silyl]oxiran-2-yl]prop-2-enoate
CID 15807828
[(3Z)-5,5-dimethylhexa-1,3-dien-2-yl]-dimethyl-phenylsilane
CID 102464112
(2S,3R)-3-[dimethyl(phenyl)silyl]oxirane-2-carbaldehyde
CID 11160053
tert-butyl-(1,2-dimethyl-3H-indazol-3-yl)-diphenylsilane
CID 11682496
tert-butyl-[(Z)-2-iodo-2-trimethylsilylethenyl]-diphenylsilane
CID 11798344
[(2S,3S)-3-[dimethyl(phenyl)silyl]oxiran-2-yl]-dimethyl-phenylsilane
CID 15526879
[tert-butyl(diphenyl)silyl]methanediol
CID 166018796
benzoic acid;tert-butyl-hydroxy-dimethylsilane
CID 71403721
but-3-enyl-[(1E)-3-methylbuta-1,3-dienyl]-diphenylsilane
CID 10709670
tert-butyl-[(E)-3-[(2S,3S)-3-methyloxiran-2-yl]prop-2-enoxy]-diphenylsilane
CID 46854164
(E)-3-[tert-butyl(diphenyl)silyl]-1-phenylprop-2-en-1-one
CID 102342624
ethane;(3Z,5Z)-2-methylhepta-1,3,5-triene;toluene
CID 142426246

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2S,3S)-3-[(1Z)-3-methylbuta-1,3-dienyl]oxiran-2-yl]-diphenylsilane?
The IUPAC name of tert-butyl-[(2S,3S)-3-[(1Z)-3-methylbuta-1,3-dienyl]oxiran-2-yl]-diphenylsilane (CID 102426679) is tert-butyl-[(2S,3S)-3-[(1Z)-3-methylbuta-1,3-dienyl]oxiran-2-yl]-diphenylsilane.
What is the SMILES notation for tert-butyl-[(2S,3S)-3-[(1Z)-3-methylbuta-1,3-dienyl]oxiran-2-yl]-diphenylsilane?
The canonical SMILES for tert-butyl-[(2S,3S)-3-[(1Z)-3-methylbuta-1,3-dienyl]oxiran-2-yl]-diphenylsilane is C=C(C)/C=C\[C@@H]1O[C@H]1[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of tert-butyl-[(2S,3S)-3-[(1Z)-3-methylbuta-1,3-dienyl]oxiran-2-yl]-diphenylsilane?
The InChIKey is YLCMJDIFKFZDJK-JNJZGVDNSA-N. The full InChI is InChI=1S/C23H28OSi/c1-18(2)16-17-21-22(24-21)25(23(3,4)5,19-12-8-6-9-13-19)20-14-10-7-11-15-20/h6-17,21-22H,1H2,2-5H3/b17-16-/t21-,22-/m0/s1.
What are the key properties of tert-butyl-[(2S,3S)-3-[(1Z)-3-methylbuta-1,3-dienyl]oxiran-2-yl]-diphenylsilane?
tert-butyl-[(2S,3S)-3-[(1Z)-3-methylbuta-1,3-dienyl]oxiran-2-yl]-diphenylsilane has a molecular weight of 348.56 g/mol, XLogP of 4.49, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2S,3S)-3-[(1Z)-3-methylbuta-1,3-dienyl]oxiran-2-yl]-diphenylsilane is sourced from PubChem (CID 102426679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).