tert-butyl-[(E,2S)-5-[(1S)-cyclohex-2-en-1-yl]pent-4-en-2-yl]oxy-dimethylsilane

C17H32OSi — CID 134952093

IUPACtert-butyl-[(E,2S)-5-[(1S)-cyclohex-2-en-1-yl]pent-4-en-2-yl]oxy-dimethylsilane
SMILESC[C@@H](C/C=C/[C@@H]1C=CCCC1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H32OSi/c1-15(18-19(5,6)17(2,3)4)11-10-14-16-12-8-7-9-13-16/h8,10,12,14-16H,7,9,11,13H2,1-6H3/b14-10+/t15-,16+/m0/s1
InChIKeyXLXGOGCVYOAKOX-KFOKOMITSA-N
MW280.53 g/mol
LogP5.70
Rot. Bonds5

About tert-butyl-[(E,2S)-5-[(1S)-cyclohex-2-en-1-yl]pent-4-en-2-yl]oxy-dimethylsilane

tert-butyl-[(E,2S)-5-[(1S)-cyclohex-2-en-1-yl]pent-4-en-2-yl]oxy-dimethylsilane (PubChem CID 134952093) has the molecular formula C17H32OSi and a molecular weight of 280.53 g/mol. Its IUPAC name is tert-butyl-[(E,2S)-5-[(1S)-cyclohex-2-en-1-yl]pent-4-en-2-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(E,2S)-5-[(1S)-cyclohex-2-en-1-yl]pent-4-en-2-yl]oxy-dimethylsilane
PubChem CID134952093
Molecular FormulaC17H32OSi
Molecular Weight280.53 g/mol
Exact Mass280.22
IUPAC Nametert-butyl-[(E,2S)-5-[(1S)-cyclohex-2-en-1-yl]pent-4-en-2-yl]oxy-dimethylsilane
SMILESC[C@@H](C/C=C/[C@@H]1C=CCCC1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H32OSi/c1-15(18-19(5,6)17(2,3)4)11-10-14-16-12-8-7-9-13-16/h8,10,12,14-16H,7,9,11,13H2,1-6H3/b14-10+/t15-,16+/m0/s1
InChIKeyXLXGOGCVYOAKOX-KFOKOMITSA-N
XLogP5.70
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.53
LogP ≤ 55.70
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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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(E,2S)-5-[(1S)-cyclohex-2-en-1-yl]pent-4-en-2-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(E,2S)-5-[(1S)-cyclohex-2-en-1-yl]pent-4-en-2-yl]oxy-dimethylsilane (CID 134952093) is tert-butyl-[(E,2S)-5-[(1S)-cyclohex-2-en-1-yl]pent-4-en-2-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(E,2S)-5-[(1S)-cyclohex-2-en-1-yl]pent-4-en-2-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(E,2S)-5-[(1S)-cyclohex-2-en-1-yl]pent-4-en-2-yl]oxy-dimethylsilane is C[C@@H](C/C=C/[C@@H]1C=CCCC1)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(E,2S)-5-[(1S)-cyclohex-2-en-1-yl]pent-4-en-2-yl]oxy-dimethylsilane?
The InChIKey is XLXGOGCVYOAKOX-KFOKOMITSA-N. The full InChI is InChI=1S/C17H32OSi/c1-15(18-19(5,6)17(2,3)4)11-10-14-16-12-8-7-9-13-16/h8,10,12,14-16H,7,9,11,13H2,1-6H3/b14-10+/t15-,16+/m0/s1.
What are the key properties of tert-butyl-[(E,2S)-5-[(1S)-cyclohex-2-en-1-yl]pent-4-en-2-yl]oxy-dimethylsilane?
tert-butyl-[(E,2S)-5-[(1S)-cyclohex-2-en-1-yl]pent-4-en-2-yl]oxy-dimethylsilane has a molecular weight of 280.53 g/mol, XLogP of 5.70, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(E,2S)-5-[(1S)-cyclohex-2-en-1-yl]pent-4-en-2-yl]oxy-dimethylsilane is sourced from PubChem (CID 134952093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).