bis(trimethylsilyl) (2S,3S)-bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate

C15H26O4Si2 — CID 101435000

IUPACbis(trimethylsilyl) (2S,3S)-bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate
SMILESC[Si](C)(C)OC(=O)[C@H]1C2C=CC(C2)[C@@H]1C(=O)O[Si](C)(C)C
InChIInChI=1S/C15H26O4Si2/c1-20(2,3)18-14(16)12-10-7-8-11(9-10)13(12)15(17)19-21(4,5)6/h7-8,10-13H,9H2,1-6H3/t10?,11?,12-,13-/m0/s1
InChIKeyBODJRZJUEKKQIW-TYUFSLCMSA-N
MW326.54 g/mol
LogP3.18
Rot. Bonds4

About bis(trimethylsilyl) (2S,3S)-bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate

bis(trimethylsilyl) (2S,3S)-bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate (PubChem CID 101435000) has the molecular formula C15H26O4Si2 and a molecular weight of 326.54 g/mol. Its IUPAC name is bis(trimethylsilyl) (2S,3S)-bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate.

Molecular Properties

Compound Namebis(trimethylsilyl) (2S,3S)-bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate
PubChem CID101435000
Molecular FormulaC15H26O4Si2
Molecular Weight326.54 g/mol
Exact Mass326.14
IUPAC Namebis(trimethylsilyl) (2S,3S)-bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate
SMILESC[Si](C)(C)OC(=O)[C@H]1C2C=CC(C2)[C@@H]1C(=O)O[Si](C)(C)C
InChIInChI=1S/C15H26O4Si2/c1-20(2,3)18-14(16)12-10-7-8-11(9-10)13(12)15(17)19-21(4,5)6/h7-8,10-13H,9H2,1-6H3/t10?,11?,12-,13-/m0/s1
InChIKeyBODJRZJUEKKQIW-TYUFSLCMSA-N
XLogP3.18
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.54
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

dimethyl (1S,4R)-bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate
CID 11020143
dimethyl (1R,2S,3S,4R)-bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate
CID 98044884
dimethyl bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate;methane
CID 159731557
bis(trimethylsilyl) (1S,2R,5R,6S,7R,8R)-tricyclo[4.2.2.02,5]deca-3,9-diene-7,8-dicarboxylate
CID 124783515
trimethylsilyl bicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 14391647
(2R,3R)-3-methoxycarbonylbicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 59710721
(2R,3R)-bicyclo[2.2.1]hept-5-ene-2,3-dicarbonyl chloride
CID 13163688
bis(trifluoromethyl) bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate
CID 22172266
(1R,2S,3R,4S)-3-methoxycarbonylbicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 11892964
bis[1,1-bis[(2-methylpropan-2-yl)oxy]ethyl] bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate
CID 70173445
1-[(3S)-3-acetyl-2-bicyclo[2.2.1]hept-5-enyl]ethanone
CID 130402735
1-[(2R,3R)-3-acetyl-2-bicyclo[2.2.1]hept-5-enyl]ethanone
CID 130765247

Frequently Asked Questions

What is the IUPAC name of bis(trimethylsilyl) (2S,3S)-bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate?
The IUPAC name of bis(trimethylsilyl) (2S,3S)-bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate (CID 101435000) is bis(trimethylsilyl) (2S,3S)-bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate.
What is the SMILES notation for bis(trimethylsilyl) (2S,3S)-bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate?
The canonical SMILES for bis(trimethylsilyl) (2S,3S)-bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate is C[Si](C)(C)OC(=O)[C@H]1C2C=CC(C2)[C@@H]1C(=O)O[Si](C)(C)C.
What is the InChIKey of bis(trimethylsilyl) (2S,3S)-bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate?
The InChIKey is BODJRZJUEKKQIW-TYUFSLCMSA-N. The full InChI is InChI=1S/C15H26O4Si2/c1-20(2,3)18-14(16)12-10-7-8-11(9-10)13(12)15(17)19-21(4,5)6/h7-8,10-13H,9H2,1-6H3/t10?,11?,12-,13-/m0/s1.
What are the key properties of bis(trimethylsilyl) (2S,3S)-bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate?
bis(trimethylsilyl) (2S,3S)-bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate has a molecular weight of 326.54 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(trimethylsilyl) (2S,3S)-bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate is sourced from PubChem (CID 101435000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).