trimethylsilyl bicyclo[2.2.1]hept-5-ene-2-carboxylate

C11H18O2Si — CID 14391647

IUPACtrimethylsilyl bicyclo[2.2.1]hept-5-ene-2-carboxylate
SMILESC[Si](C)(C)OC(=O)C1CC2C=CC1C2
InChIInChI=1S/C11H18O2Si/c1-14(2,3)13-11(12)10-7-8-4-5-9(10)6-8/h4-5,8-10H,6-7H2,1-3H3
InChIKeyYDOFALGSXSUFFA-UHFFFAOYSA-N
MW210.35 g/mol
LogP2.58
Rot. Bonds2

About trimethylsilyl bicyclo[2.2.1]hept-5-ene-2-carboxylate

trimethylsilyl bicyclo[2.2.1]hept-5-ene-2-carboxylate (PubChem CID 14391647) has the molecular formula C11H18O2Si and a molecular weight of 210.35 g/mol. Its IUPAC name is trimethylsilyl bicyclo[2.2.1]hept-5-ene-2-carboxylate.

Molecular Properties

Compound Nametrimethylsilyl bicyclo[2.2.1]hept-5-ene-2-carboxylate
PubChem CID14391647
Molecular FormulaC11H18O2Si
Molecular Weight210.35 g/mol
Exact Mass210.11
IUPAC Nametrimethylsilyl bicyclo[2.2.1]hept-5-ene-2-carboxylate
SMILESC[Si](C)(C)OC(=O)C1CC2C=CC1C2
InChIInChI=1S/C11H18O2Si/c1-14(2,3)13-11(12)10-7-8-4-5-9(10)6-8/h4-5,8-10H,6-7H2,1-3H3
InChIKeyYDOFALGSXSUFFA-UHFFFAOYSA-N
XLogP2.58
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.35
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

[methyl-di(propan-2-yl)silyl] bicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 141103584
methyl (1S,2R,4S)-bicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 10964695
ethyl (1R,2R,4R)-bicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 10899051
tert-butyl (1S,2S,4R)-bicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 99724885
2-[(1S,2R,4S)-bicyclo[2.2.1]hept-5-ene-2-carbonyl]oxyethyl (1S,4S)-bicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 71023765
bis(trimethylsilyl) (2S,3S)-bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate
CID 101435000
1-[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]ethanone
CID 11869221
(2,3,4,5,6-pentafluorophenyl) (1R,2S,4R)-bicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 53260987
(2-methyl-4-trimethylsilylbutan-2-yl) bicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 23496726
[(2S)-1-ethoxy-1-oxopropan-2-yl] (1S,2R,4S)-bicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 101371570
[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl (1R,2S,4S)-bicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 124933514
(1,3-dihydroxy-2-methylpropan-2-yl) (1S,2S,4S)-bicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 11831113

Frequently Asked Questions

What is the IUPAC name of trimethylsilyl bicyclo[2.2.1]hept-5-ene-2-carboxylate?
The IUPAC name of trimethylsilyl bicyclo[2.2.1]hept-5-ene-2-carboxylate (CID 14391647) is trimethylsilyl bicyclo[2.2.1]hept-5-ene-2-carboxylate.
What is the SMILES notation for trimethylsilyl bicyclo[2.2.1]hept-5-ene-2-carboxylate?
The canonical SMILES for trimethylsilyl bicyclo[2.2.1]hept-5-ene-2-carboxylate is C[Si](C)(C)OC(=O)C1CC2C=CC1C2.
What is the InChIKey of trimethylsilyl bicyclo[2.2.1]hept-5-ene-2-carboxylate?
The InChIKey is YDOFALGSXSUFFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2Si/c1-14(2,3)13-11(12)10-7-8-4-5-9(10)6-8/h4-5,8-10H,6-7H2,1-3H3.
What are the key properties of trimethylsilyl bicyclo[2.2.1]hept-5-ene-2-carboxylate?
trimethylsilyl bicyclo[2.2.1]hept-5-ene-2-carboxylate has a molecular weight of 210.35 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl bicyclo[2.2.1]hept-5-ene-2-carboxylate is sourced from PubChem (CID 14391647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).