trimethyl-[2-[[(1R,2R,4S)-5-methylidene-2-prop-2-enyl-1-bicyclo[2.2.2]octanyl]methoxymethoxy]ethyl]silane

C19H34O2Si — CID 24808692

IUPACtrimethyl-[2-[[(1R,2R,4S)-5-methylidene-2-prop-2-enyl-1-bicyclo[2.2.2]octanyl]methoxymethoxy]ethyl]silane
SMILESC=CC[C@@H]1C[C@@H]2CC[C@@]1(COCOCC[Si](C)(C)C)CC2=C
InChIInChI=1S/C19H34O2Si/c1-6-7-18-12-17-8-9-19(18,13-16(17)2)14-21-15-20-10-11-22(3,4)5/h6,17-18H,1-2,7-15H2,3-5H3/t17-,18+,19-/m0/s1
InChIKeyDEIFREXBTJNNIL-OTWHNJEPSA-N
MW322.57 g/mol
LogP5.25
Rot. Bonds9

About trimethyl-[2-[[(1R,2R,4S)-5-methylidene-2-prop-2-enyl-1-bicyclo[2.2.2]octanyl]methoxymethoxy]ethyl]silane

trimethyl-[2-[[(1R,2R,4S)-5-methylidene-2-prop-2-enyl-1-bicyclo[2.2.2]octanyl]methoxymethoxy]ethyl]silane (PubChem CID 24808692) has the molecular formula C19H34O2Si and a molecular weight of 322.57 g/mol. Its IUPAC name is trimethyl-[2-[[(1R,2R,4S)-5-methylidene-2-prop-2-enyl-1-bicyclo[2.2.2]octanyl]methoxymethoxy]ethyl]silane.

Molecular Properties

Compound Nametrimethyl-[2-[[(1R,2R,4S)-5-methylidene-2-prop-2-enyl-1-bicyclo[2.2.2]octanyl]methoxymethoxy]ethyl]silane
PubChem CID24808692
Molecular FormulaC19H34O2Si
Molecular Weight322.57 g/mol
Exact Mass322.23
IUPAC Nametrimethyl-[2-[[(1R,2R,4S)-5-methylidene-2-prop-2-enyl-1-bicyclo[2.2.2]octanyl]methoxymethoxy]ethyl]silane
SMILESC=CC[C@@H]1C[C@@H]2CC[C@@]1(COCOCC[Si](C)(C)C)CC2=C
InChIInChI=1S/C19H34O2Si/c1-6-7-18-12-17-8-9-19(18,13-16(17)2)14-21-15-20-10-11-22(3,4)5/h6,17-18H,1-2,7-15H2,3-5H3/t17-,18+,19-/m0/s1
InChIKeyDEIFREXBTJNNIL-OTWHNJEPSA-N
XLogP5.25
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.57
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Tert-butyl-[[2-(2-methoxyethenyl)-5-methylidene-1-bicyclo[2.2.2]octanyl]methoxy]-dimethylsilane
CID 134941572
trimethyl-[2-[[(1R,4S)-5-methylidene-2-prop-2-enyl-1-bicyclo[2.2.2]octanyl]methoxymethoxy]ethyl]silane
CID 139249559

Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-[[(1R,2R,4S)-5-methylidene-2-prop-2-enyl-1-bicyclo[2.2.2]octanyl]methoxymethoxy]ethyl]silane?
The IUPAC name of trimethyl-[2-[[(1R,2R,4S)-5-methylidene-2-prop-2-enyl-1-bicyclo[2.2.2]octanyl]methoxymethoxy]ethyl]silane (CID 24808692) is trimethyl-[2-[[(1R,2R,4S)-5-methylidene-2-prop-2-enyl-1-bicyclo[2.2.2]octanyl]methoxymethoxy]ethyl]silane.
What is the SMILES notation for trimethyl-[2-[[(1R,2R,4S)-5-methylidene-2-prop-2-enyl-1-bicyclo[2.2.2]octanyl]methoxymethoxy]ethyl]silane?
The canonical SMILES for trimethyl-[2-[[(1R,2R,4S)-5-methylidene-2-prop-2-enyl-1-bicyclo[2.2.2]octanyl]methoxymethoxy]ethyl]silane is C=CC[C@@H]1C[C@@H]2CC[C@@]1(COCOCC[Si](C)(C)C)CC2=C.
What is the InChIKey of trimethyl-[2-[[(1R,2R,4S)-5-methylidene-2-prop-2-enyl-1-bicyclo[2.2.2]octanyl]methoxymethoxy]ethyl]silane?
The InChIKey is DEIFREXBTJNNIL-OTWHNJEPSA-N. The full InChI is InChI=1S/C19H34O2Si/c1-6-7-18-12-17-8-9-19(18,13-16(17)2)14-21-15-20-10-11-22(3,4)5/h6,17-18H,1-2,7-15H2,3-5H3/t17-,18+,19-/m0/s1.
What are the key properties of trimethyl-[2-[[(1R,2R,4S)-5-methylidene-2-prop-2-enyl-1-bicyclo[2.2.2]octanyl]methoxymethoxy]ethyl]silane?
trimethyl-[2-[[(1R,2R,4S)-5-methylidene-2-prop-2-enyl-1-bicyclo[2.2.2]octanyl]methoxymethoxy]ethyl]silane has a molecular weight of 322.57 g/mol, XLogP of 5.25, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-[[(1R,2R,4S)-5-methylidene-2-prop-2-enyl-1-bicyclo[2.2.2]octanyl]methoxymethoxy]ethyl]silane is sourced from PubChem (CID 24808692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).