tert-butyl-[(1S)-1-(4,4-difluorocyclohexyl)but-3-enoxy]-dimethylsilane;sulfane

C16H32F2OSSi — CID 161112104

IUPACtert-butyl-[(1S)-1-(4,4-difluorocyclohexyl)but-3-enoxy]-dimethylsilane;sulfane
SMILESC=CC[C@H](O[Si](C)(C)C(C)(C)C)C1CCC(F)(F)CC1.S
InChIInChI=1S/C16H30F2OSi.H2S/c1-7-8-14(19-20(5,6)15(2,3)4)13-9-11-16(17,18)12-10-13;/h7,13-14H,1,8-12H2,2-6H3;1H2/t14-;/m0./s1
InChIKeyUJVDGNJWUBZXHN-UQKRIMTDSA-N
MW338.58 g/mol
LogP5.89
Rot. Bonds5

About tert-butyl-[(1S)-1-(4,4-difluorocyclohexyl)but-3-enoxy]-dimethylsilane;sulfane

tert-butyl-[(1S)-1-(4,4-difluorocyclohexyl)but-3-enoxy]-dimethylsilane;sulfane (PubChem CID 161112104) has the molecular formula C16H32F2OSSi and a molecular weight of 338.58 g/mol. Its IUPAC name is tert-butyl-[(1S)-1-(4,4-difluorocyclohexyl)but-3-enoxy]-dimethylsilane;sulfane.

Molecular Properties

Compound Nametert-butyl-[(1S)-1-(4,4-difluorocyclohexyl)but-3-enoxy]-dimethylsilane;sulfane
PubChem CID161112104
Molecular FormulaC16H32F2OSSi
Molecular Weight338.58 g/mol
Exact Mass338.19
IUPAC Nametert-butyl-[(1S)-1-(4,4-difluorocyclohexyl)but-3-enoxy]-dimethylsilane;sulfane
SMILESC=CC[C@H](O[Si](C)(C)C(C)(C)C)C1CCC(F)(F)CC1.S
InChIInChI=1S/C16H30F2OSi.H2S/c1-7-8-14(19-20(5,6)15(2,3)4)13-9-11-16(17,18)12-10-13;/h7,13-14H,1,8-12H2,2-6H3;1H2/t14-;/m0./s1
InChIKeyUJVDGNJWUBZXHN-UQKRIMTDSA-N
XLogP5.89
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.58
LogP ≤ 55.89
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-Fluoroethenyl)dec-1-en-4-yloxy-trimethylsilane
CID 57318195
Trimethyl-[6-(trifluoromethyl)non-1-en-4-yloxy]silane
CID 140328259
Trimethyl-[6-(trifluoromethyl)dec-1-en-4-yloxy]silane
CID 140333686
6-(Fluoromethyl)dec-1-en-4-yloxy-trimethylsilane
CID 140333711
6-(Difluoromethyl)non-1-en-4-yloxy-trimethylsilane
CID 140333765
tert-butyl-[(1S)-1-(4,4-difluorocyclohexyl)but-3-enoxy]-dimethylsilane
CID 141638158
Tert-butyl-[1-(4,4-difluorocyclohexyl)but-3-enoxy]-dimethylsilane
CID 173781464
[(E)-3-cyclohexyl-3-trimethylsilyloxyprop-1-enyl]-tri(propan-2-yl)silane
CID 134883124
Triethyl(((4R, 5S)-5-methylnon-1-en-4-yl)oxy)silane
CID 145865205
Triethyl(((4S, 5S)-5-methylnon-1-en-4-yl)oxy)silane
CID 145865215
Silane, ((2-(3-butenyl)cyclohexyl)oxy)(1,1-dimethylethyl)dimethyl-, trans-
CID 182737
[(1S)-1-[(1R)-1-cyclohexylbut-3-enoxy]hexyl]-fluoro-dimethylsilane
CID 10495501

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(1S)-1-(4,4-difluorocyclohexyl)but-3-enoxy]-dimethylsilane;sulfane?
The IUPAC name of tert-butyl-[(1S)-1-(4,4-difluorocyclohexyl)but-3-enoxy]-dimethylsilane;sulfane (CID 161112104) is tert-butyl-[(1S)-1-(4,4-difluorocyclohexyl)but-3-enoxy]-dimethylsilane;sulfane.
What is the SMILES notation for tert-butyl-[(1S)-1-(4,4-difluorocyclohexyl)but-3-enoxy]-dimethylsilane;sulfane?
The canonical SMILES for tert-butyl-[(1S)-1-(4,4-difluorocyclohexyl)but-3-enoxy]-dimethylsilane;sulfane is C=CC[C@H](O[Si](C)(C)C(C)(C)C)C1CCC(F)(F)CC1.S.
What is the InChIKey of tert-butyl-[(1S)-1-(4,4-difluorocyclohexyl)but-3-enoxy]-dimethylsilane;sulfane?
The InChIKey is UJVDGNJWUBZXHN-UQKRIMTDSA-N. The full InChI is InChI=1S/C16H30F2OSi.H2S/c1-7-8-14(19-20(5,6)15(2,3)4)13-9-11-16(17,18)12-10-13;/h7,13-14H,1,8-12H2,2-6H3;1H2/t14-;/m0./s1.
What are the key properties of tert-butyl-[(1S)-1-(4,4-difluorocyclohexyl)but-3-enoxy]-dimethylsilane;sulfane?
tert-butyl-[(1S)-1-(4,4-difluorocyclohexyl)but-3-enoxy]-dimethylsilane;sulfane has a molecular weight of 338.58 g/mol, XLogP of 5.89, 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-(4,4-difluorocyclohexyl)but-3-enoxy]-dimethylsilane;sulfane is sourced from PubChem (CID 161112104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).