tert-butyl-[[2-(2-methoxyethenyl)-5-methylidene-1-bicyclo[2.2.2]octanyl]methoxy]-dimethylsilane

C19H34O2Si — CID 134941572

IUPACtert-butyl-[[2-(2-methoxyethenyl)-5-methylidene-1-bicyclo[2.2.2]octanyl]methoxy]-dimethylsilane
SMILESC=C1CC2(CO[Si](C)(C)C(C)(C)C)CCC1CC2C=COC
InChIInChI=1S/C19H34O2Si/c1-15-13-19(14-21-22(6,7)18(2,3)4)10-8-16(15)12-17(19)9-11-20-5/h9,11,16-17H,1,8,10,12-14H2,2-7H3
InChIKeyJYYBXFAHFKWAJO-UHFFFAOYSA-N
MW322.57 g/mol
LogP5.53
Rot. Bonds5

About tert-butyl-[[2-(2-methoxyethenyl)-5-methylidene-1-bicyclo[2.2.2]octanyl]methoxy]-dimethylsilane

tert-butyl-[[2-(2-methoxyethenyl)-5-methylidene-1-bicyclo[2.2.2]octanyl]methoxy]-dimethylsilane (PubChem CID 134941572) has the molecular formula C19H34O2Si and a molecular weight of 322.57 g/mol. Its IUPAC name is tert-butyl-[[2-(2-methoxyethenyl)-5-methylidene-1-bicyclo[2.2.2]octanyl]methoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[2-(2-methoxyethenyl)-5-methylidene-1-bicyclo[2.2.2]octanyl]methoxy]-dimethylsilane
PubChem CID134941572
Molecular FormulaC19H34O2Si
Molecular Weight322.57 g/mol
Exact Mass322.23
IUPAC Nametert-butyl-[[2-(2-methoxyethenyl)-5-methylidene-1-bicyclo[2.2.2]octanyl]methoxy]-dimethylsilane
SMILESC=C1CC2(CO[Si](C)(C)C(C)(C)C)CCC1CC2C=COC
InChIInChI=1S/C19H34O2Si/c1-15-13-19(14-21-22(6,7)18(2,3)4)10-8-16(15)12-17(19)9-11-20-5/h9,11,16-17H,1,8,10,12-14H2,2-7H3
InChIKeyJYYBXFAHFKWAJO-UHFFFAOYSA-N
XLogP5.53
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.57
LogP ≤ 55.53
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

trimethyl-[2-[[(1R,2R,4S)-5-methylidene-2-prop-2-enyl-1-bicyclo[2.2.2]octanyl]methoxymethoxy]ethyl]silane
CID 24808692
[(1R,2R,4S)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methylidene-2-bicyclo[2.2.2]octanyl]methanol
CID 25053671
[(1R,2R,4S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methylidene-1-bicyclo[2.2.2]octanyl]methanol
CID 25053672
[1-[[Tert-butyl(dimethyl)silyl]oxymethyl]-5-methylidene-2-bicyclo[2.2.2]octanyl]methanol
CID 74421798
trimethyl-[2-[[(1R,4S)-5-methylidene-2-prop-2-enyl-1-bicyclo[2.2.2]octanyl]methoxymethoxy]ethyl]silane
CID 139249559
tert-butyl-[[(7R,8R,9S,13S,14R,17R)-3-methoxy-7,13-dimethyl-1,4,6,7,8,9,11,12,14,17-decahydrocyclopenta[a]phenanthren-17-yl]methoxy]-dimethylsilane
CID 69790042
tert-butyl-[2-[(1S,3R,4R)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]ethoxy]-dimethylsilane
CID 10519906
[(1R,4aR,4bS,8aS,10aR)-4b,8,8,10a-tetramethyl-2-methylidene-1,3,4,4a,5,6,7,8a,9,10-decahydrophenanthren-1-yl]methoxy-tert-butyl-dimethylsilane
CID 10883989
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-[[(1R,2R,5R)-2-[(E)-2-methoxyethenyl]-5-methylcyclohexyl]methoxy]-dimethylsilane
CID 25209249
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

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[2-(2-methoxyethenyl)-5-methylidene-1-bicyclo[2.2.2]octanyl]methoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[2-(2-methoxyethenyl)-5-methylidene-1-bicyclo[2.2.2]octanyl]methoxy]-dimethylsilane (CID 134941572) is tert-butyl-[[2-(2-methoxyethenyl)-5-methylidene-1-bicyclo[2.2.2]octanyl]methoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[2-(2-methoxyethenyl)-5-methylidene-1-bicyclo[2.2.2]octanyl]methoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[2-(2-methoxyethenyl)-5-methylidene-1-bicyclo[2.2.2]octanyl]methoxy]-dimethylsilane is C=C1CC2(CO[Si](C)(C)C(C)(C)C)CCC1CC2C=COC.
What is the InChIKey of tert-butyl-[[2-(2-methoxyethenyl)-5-methylidene-1-bicyclo[2.2.2]octanyl]methoxy]-dimethylsilane?
The InChIKey is JYYBXFAHFKWAJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34O2Si/c1-15-13-19(14-21-22(6,7)18(2,3)4)10-8-16(15)12-17(19)9-11-20-5/h9,11,16-17H,1,8,10,12-14H2,2-7H3.
What are the key properties of tert-butyl-[[2-(2-methoxyethenyl)-5-methylidene-1-bicyclo[2.2.2]octanyl]methoxy]-dimethylsilane?
tert-butyl-[[2-(2-methoxyethenyl)-5-methylidene-1-bicyclo[2.2.2]octanyl]methoxy]-dimethylsilane has a molecular weight of 322.57 g/mol, XLogP of 5.53, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[2-(2-methoxyethenyl)-5-methylidene-1-bicyclo[2.2.2]octanyl]methoxy]-dimethylsilane is sourced from PubChem (CID 134941572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).