2-[[(1S,2S,5R)-2-bicyclo[3.2.2]nona-3,6-dienyl]oxy]ethyl-trimethylsilane

C14H24OSi — CID 102245486

IUPAC2-[[(1S,2S,5R)-2-bicyclo[3.2.2]nona-3,6-dienyl]oxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCO[C@H]1C=C[C@H]2C=C[C@@H]1CC2
InChIInChI=1S/C14H24OSi/c1-16(2,3)11-10-15-14-9-6-12-4-7-13(14)8-5-12/h4,6-7,9,12-14H,5,8,10-11H2,1-3H3/t12-,13+,14-/m0/s1
InChIKeyYLBYDLXIYVTBLH-MJBXVCDLSA-N
MW236.43 g/mol
LogP3.86
Rot. Bonds4

About 2-[[(1S,2S,5R)-2-bicyclo[3.2.2]nona-3,6-dienyl]oxy]ethyl-trimethylsilane

2-[[(1S,2S,5R)-2-bicyclo[3.2.2]nona-3,6-dienyl]oxy]ethyl-trimethylsilane (PubChem CID 102245486) has the molecular formula C14H24OSi and a molecular weight of 236.43 g/mol. Its IUPAC name is 2-[[(1S,2S,5R)-2-bicyclo[3.2.2]nona-3,6-dienyl]oxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[(1S,2S,5R)-2-bicyclo[3.2.2]nona-3,6-dienyl]oxy]ethyl-trimethylsilane
PubChem CID102245486
Molecular FormulaC14H24OSi
Molecular Weight236.43 g/mol
Exact Mass236.16
IUPAC Name2-[[(1S,2S,5R)-2-bicyclo[3.2.2]nona-3,6-dienyl]oxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCO[C@H]1C=C[C@H]2C=C[C@@H]1CC2
InChIInChI=1S/C14H24OSi/c1-16(2,3)11-10-15-14-9-6-12-4-7-13(14)8-5-12/h4,6-7,9,12-14H,5,8,10-11H2,1-3H3/t12-,13+,14-/m0/s1
InChIKeyYLBYDLXIYVTBLH-MJBXVCDLSA-N
XLogP3.86
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.43
LogP ≤ 53.86
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

[(2S,5S)-5-cyclohexyl-2-ethenyl-2,5-dihydrofuran-3-yl]-trimethylsilane
CID 11736827
(1R,4S,5S)-4-ethoxybicyclo[3.2.2]nona-2,6-diene
CID 102245481
trimethyl-[4-methyl-2-methylidene-5-[(2R)-6-(trimethylsilylmethyl)-3,6-dihydro-2H-pyran-2-yl]pentyl]silane
CID 89242398
tert-butyl-[[(1R,2S,4R,5S)-2,4-dimethyl-8-oxabicyclo[3.2.1]oct-6-en-3-yl]oxy]-dimethylsilane
CID 10945458
2-[[(1S,2S,5R)-2-bicyclo[3.2.2]nona-3,6-dienyl]oxymethoxy]ethyl-trimethylsilane
CID 11219335
[(4S)-5-[(2R,6R)-6-ethenyl-3,6-dihydro-2H-pyran-2-yl]-4-methyl-2-methylidenepentyl]-trimethylsilane
CID 11300426
trimethyl-[(1S,7S)-3-oxatricyclo[5.2.1.02,4]deca-5,8-dien-8-yl]silane
CID 42643791
trimethyl-[(1S,7R)-3-oxatricyclo[5.2.1.02,4]deca-5,8-dien-9-yl]silane
CID 42644270
trimethyl-[(1R,4S,6R)-1-methyl-4-prop-1-en-2-yl-7-oxabicyclo[4.1.0]hept-2-en-2-yl]silane
CID 102387711

Frequently Asked Questions

What is the IUPAC name of 2-[[(1S,2S,5R)-2-bicyclo[3.2.2]nona-3,6-dienyl]oxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[(1S,2S,5R)-2-bicyclo[3.2.2]nona-3,6-dienyl]oxy]ethyl-trimethylsilane (CID 102245486) is 2-[[(1S,2S,5R)-2-bicyclo[3.2.2]nona-3,6-dienyl]oxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[(1S,2S,5R)-2-bicyclo[3.2.2]nona-3,6-dienyl]oxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[(1S,2S,5R)-2-bicyclo[3.2.2]nona-3,6-dienyl]oxy]ethyl-trimethylsilane is C[Si](C)(C)CCO[C@H]1C=C[C@H]2C=C[C@@H]1CC2.
What is the InChIKey of 2-[[(1S,2S,5R)-2-bicyclo[3.2.2]nona-3,6-dienyl]oxy]ethyl-trimethylsilane?
The InChIKey is YLBYDLXIYVTBLH-MJBXVCDLSA-N. The full InChI is InChI=1S/C14H24OSi/c1-16(2,3)11-10-15-14-9-6-12-4-7-13(14)8-5-12/h4,6-7,9,12-14H,5,8,10-11H2,1-3H3/t12-,13+,14-/m0/s1.
What are the key properties of 2-[[(1S,2S,5R)-2-bicyclo[3.2.2]nona-3,6-dienyl]oxy]ethyl-trimethylsilane?
2-[[(1S,2S,5R)-2-bicyclo[3.2.2]nona-3,6-dienyl]oxy]ethyl-trimethylsilane has a molecular weight of 236.43 g/mol, XLogP of 3.86, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S,2S,5R)-2-bicyclo[3.2.2]nona-3,6-dienyl]oxy]ethyl-trimethylsilane is sourced from PubChem (CID 102245486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).