tert-butyl-[(1S)-1-[(1S)-cyclohex-2-en-1-yl]ethoxy]-diphenylsilane

C24H32OSi — CID 57379185

IUPACtert-butyl-[(1S)-1-[(1S)-cyclohex-2-en-1-yl]ethoxy]-diphenylsilane
SMILESC[C@H](O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@@H]1C=CCCC1
InChIInChI=1S/C24H32OSi/c1-20(21-14-8-5-9-15-21)25-26(24(2,3)4,22-16-10-6-11-17-22)23-18-12-7-13-19-23/h6-8,10-14,16-21H,5,9,15H2,1-4H3/t20-,21+/m0/s1
InChIKeyXLACHAXJCWSPML-LEWJYISDSA-N
MW364.61 g/mol
LogP5.31
Rot. Bonds5

About tert-butyl-[(1S)-1-[(1S)-cyclohex-2-en-1-yl]ethoxy]-diphenylsilane

tert-butyl-[(1S)-1-[(1S)-cyclohex-2-en-1-yl]ethoxy]-diphenylsilane (PubChem CID 57379185) has the molecular formula C24H32OSi and a molecular weight of 364.61 g/mol. Its IUPAC name is tert-butyl-[(1S)-1-[(1S)-cyclohex-2-en-1-yl]ethoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[(1S)-1-[(1S)-cyclohex-2-en-1-yl]ethoxy]-diphenylsilane
PubChem CID57379185
Molecular FormulaC24H32OSi
Molecular Weight364.61 g/mol
Exact Mass364.22
IUPAC Nametert-butyl-[(1S)-1-[(1S)-cyclohex-2-en-1-yl]ethoxy]-diphenylsilane
SMILESC[C@H](O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@@H]1C=CCCC1
InChIInChI=1S/C24H32OSi/c1-20(21-14-8-5-9-15-21)25-26(24(2,3)4,22-16-10-6-11-17-22)23-18-12-7-13-19-23/h6-8,10-14,16-21H,5,9,15H2,1-4H3/t20-,21+/m0/s1
InChIKeyXLACHAXJCWSPML-LEWJYISDSA-N
XLogP5.31
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.61
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6-[1-[tert-butyl(diphenyl)silyl]oxyethyl]oxan-3-ol
CID 140747666
tert-butyl-[(R)-[(1S)-cyclohexa-2,4-dien-1-yl]-phenylmethoxy]-diphenylsilane
CID 23631659
tert-butyl-[(1S)-1-(2,4-dihydro-1H-3,1-benzoxazin-2-yl)ethoxy]-diphenylsilane
CID 10549907
3-[1-[tert-butyl(diphenyl)silyl]oxyethyl]-2,2-dichlorocyclobutan-1-one
CID 66739441
tert-butyl-[(1R,2R)-2-[tert-butyl(diphenyl)silyl]oxy-1,2-diphenylethoxy]-diphenylsilane
CID 11028852
tert-butyl-pentan-3-yloxy-diphenylsilane
CID 58776136
(2R)-2-[tert-butyl(diphenyl)silyl]oxy-2-phenylacetonitrile
CID 18653746
tert-butyl-cyclopent-3-en-1-yloxy-diphenylsilane
CID 11347853
2-[(2S)-2-[tert-butyl(diphenyl)silyl]oxypropylidene]propane-1,3-diol
CID 102368876
(3S)-3-[tert-butyl(diphenyl)silyl]oxypentane-1,4-diol
CID 15409689
cyclobutane;1-cyclohex-2-en-1-ylbutylbenzene
CID 145163043
tert-butyl-[(2-methylcyclopentyl)methoxy]-diphenylsilane
CID 123161962

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(1S)-1-[(1S)-cyclohex-2-en-1-yl]ethoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[(1S)-1-[(1S)-cyclohex-2-en-1-yl]ethoxy]-diphenylsilane (CID 57379185) is tert-butyl-[(1S)-1-[(1S)-cyclohex-2-en-1-yl]ethoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[(1S)-1-[(1S)-cyclohex-2-en-1-yl]ethoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[(1S)-1-[(1S)-cyclohex-2-en-1-yl]ethoxy]-diphenylsilane is C[C@H](O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@@H]1C=CCCC1.
What is the InChIKey of tert-butyl-[(1S)-1-[(1S)-cyclohex-2-en-1-yl]ethoxy]-diphenylsilane?
The InChIKey is XLACHAXJCWSPML-LEWJYISDSA-N. The full InChI is InChI=1S/C24H32OSi/c1-20(21-14-8-5-9-15-21)25-26(24(2,3)4,22-16-10-6-11-17-22)23-18-12-7-13-19-23/h6-8,10-14,16-21H,5,9,15H2,1-4H3/t20-,21+/m0/s1.
What are the key properties of tert-butyl-[(1S)-1-[(1S)-cyclohex-2-en-1-yl]ethoxy]-diphenylsilane?
tert-butyl-[(1S)-1-[(1S)-cyclohex-2-en-1-yl]ethoxy]-diphenylsilane has a molecular weight of 364.61 g/mol, XLogP of 5.31, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(1S)-1-[(1S)-cyclohex-2-en-1-yl]ethoxy]-diphenylsilane is sourced from PubChem (CID 57379185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).