tert-butyl-[[(1R,2R,5R)-2-[(E)-2-methoxyethenyl]-5-methylcyclohexyl]methoxy]-dimethylsilane

C17H34O2Si — CID 25209249

IUPACtert-butyl-[[(1R,2R,5R)-2-[(E)-2-methoxyethenyl]-5-methylcyclohexyl]methoxy]-dimethylsilane
SMILESCO/C=C/[C@@H]1CC[C@@H](C)C[C@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H34O2Si/c1-14-8-9-15(10-11-18-5)16(12-14)13-19-20(6,7)17(2,3)4/h10-11,14-16H,8-9,12-13H2,1-7H3/b11-10+/t14-,15+,16+/m1/s1
InChIKeyIWTNDXFBJWWVKW-WHVDOQMCSA-N
MW298.54 g/mol
LogP5.22
Rot. Bonds5

About tert-butyl-[[(1R,2R,5R)-2-[(E)-2-methoxyethenyl]-5-methylcyclohexyl]methoxy]-dimethylsilane

tert-butyl-[[(1R,2R,5R)-2-[(E)-2-methoxyethenyl]-5-methylcyclohexyl]methoxy]-dimethylsilane (PubChem CID 25209249) has the molecular formula C17H34O2Si and a molecular weight of 298.54 g/mol. Its IUPAC name is tert-butyl-[[(1R,2R,5R)-2-[(E)-2-methoxyethenyl]-5-methylcyclohexyl]methoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[(1R,2R,5R)-2-[(E)-2-methoxyethenyl]-5-methylcyclohexyl]methoxy]-dimethylsilane
PubChem CID25209249
Molecular FormulaC17H34O2Si
Molecular Weight298.54 g/mol
Exact Mass298.23
IUPAC Nametert-butyl-[[(1R,2R,5R)-2-[(E)-2-methoxyethenyl]-5-methylcyclohexyl]methoxy]-dimethylsilane
SMILESCO/C=C/[C@@H]1CC[C@@H](C)C[C@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H34O2Si/c1-14-8-9-15(10-11-18-5)16(12-14)13-19-20(6,7)17(2,3)4/h10-11,14-16H,8-9,12-13H2,1-7H3/b11-10+/t14-,15+,16+/m1/s1
InChIKeyIWTNDXFBJWWVKW-WHVDOQMCSA-N
XLogP5.22
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.54
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

[(7R,8S)-8-[(E)-but-2-enyl]-3-methoxy-4,7-dimethyl-4,4a,5,6,7,8-hexahydroisochromen-3-yl]oxy-tri(propan-2-yl)silane
CID 71466738
Tert-butyl-[[2-(2-methoxyethenyl)-5-methylidene-1-bicyclo[2.2.2]octanyl]methoxy]-dimethylsilane
CID 134941572
[(6R)-6-cyclohexyloct-7-enoxy]-tri(propan-2-yl)silane
CID 176426908
2-[3,4-Bis(ethenyl)cyclohexyl]ethyl-triethoxysilane
CID 69670313
Tert-butyl-[3-(2-ethenylcyclohexyl)propoxy]-dimethylsilane
CID 85650609
[(7R,8S)-8-[(E)-but-2-enyl]-3,4,7-trimethyl-4,4a,5,6,7,8-hexahydroisochromen-3-yl]oxy-tri(propan-2-yl)silane
CID 90139691
[2-(2-Ethenylcyclohexyl)-2-methylbut-3-enoxy]-ethyl-dimethoxysilane
CID 154697544
tert-butyl-[2-[(1S,3R,4R)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]ethoxy]-dimethylsilane
CID 10519906
tert-butyl-[(2R)-2-[(1S,2R,4S,8E)-8-(methoxymethylidene)-4-methyl-2-bicyclo[2.2.2]oct-5-enyl]-3-methylbutoxy]-dimethylsilane
CID 11035894
tert-butyl-[[(1S,2S,6S)-2-[(E)-3-methoxyprop-2-enyl]-1,6-dimethyl-3-propan-2-ylidenecyclohexyl]methoxy]-dimethylsilane
CID 45101636
tert-butyl-[[(5R)-2-[(E)-2-methoxyethenyl]-5-methylcyclohexyl]methoxy]-dimethylsilane
CID 102221803
[8-[(E)-but-2-enyl]-3-methoxy-4,7-dimethyl-4,4a,5,6,7,8-hexahydroisochromen-3-yl]oxy-tri(propan-2-yl)silane
CID 102450312

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[(1R,2R,5R)-2-[(E)-2-methoxyethenyl]-5-methylcyclohexyl]methoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[(1R,2R,5R)-2-[(E)-2-methoxyethenyl]-5-methylcyclohexyl]methoxy]-dimethylsilane (CID 25209249) is tert-butyl-[[(1R,2R,5R)-2-[(E)-2-methoxyethenyl]-5-methylcyclohexyl]methoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[(1R,2R,5R)-2-[(E)-2-methoxyethenyl]-5-methylcyclohexyl]methoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[(1R,2R,5R)-2-[(E)-2-methoxyethenyl]-5-methylcyclohexyl]methoxy]-dimethylsilane is CO/C=C/[C@@H]1CC[C@@H](C)C[C@H]1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[[(1R,2R,5R)-2-[(E)-2-methoxyethenyl]-5-methylcyclohexyl]methoxy]-dimethylsilane?
The InChIKey is IWTNDXFBJWWVKW-WHVDOQMCSA-N. The full InChI is InChI=1S/C17H34O2Si/c1-14-8-9-15(10-11-18-5)16(12-14)13-19-20(6,7)17(2,3)4/h10-11,14-16H,8-9,12-13H2,1-7H3/b11-10+/t14-,15+,16+/m1/s1.
What are the key properties of tert-butyl-[[(1R,2R,5R)-2-[(E)-2-methoxyethenyl]-5-methylcyclohexyl]methoxy]-dimethylsilane?
tert-butyl-[[(1R,2R,5R)-2-[(E)-2-methoxyethenyl]-5-methylcyclohexyl]methoxy]-dimethylsilane has a molecular weight of 298.54 g/mol, XLogP of 5.22, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(1R,2R,5R)-2-[(E)-2-methoxyethenyl]-5-methylcyclohexyl]methoxy]-dimethylsilane is sourced from PubChem (CID 25209249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).