[tert-butyl(dimethyl)silyl] 6-methylidene-2-oxobicyclo[3.2.0]heptane-1-carboxylate

C15H24O3Si — CID 15339080

IUPAC[tert-butyl(dimethyl)silyl] 6-methylidene-2-oxobicyclo[3.2.0]heptane-1-carboxylate
SMILESC=C1CC2(C(=O)O[Si](C)(C)C(C)(C)C)C(=O)CCC12
InChIInChI=1S/C15H24O3Si/c1-10-9-15(11(10)7-8-12(15)16)13(17)18-19(5,6)14(2,3)4/h11H,1,7-9H2,2-6H3
InChIKeyHVJWTJFXPRRVBO-UHFFFAOYSA-N
MW280.44 g/mol
LogP3.46
Rot. Bonds2

About [tert-butyl(dimethyl)silyl] 6-methylidene-2-oxobicyclo[3.2.0]heptane-1-carboxylate

[tert-butyl(dimethyl)silyl] 6-methylidene-2-oxobicyclo[3.2.0]heptane-1-carboxylate (PubChem CID 15339080) has the molecular formula C15H24O3Si and a molecular weight of 280.44 g/mol. Its IUPAC name is [tert-butyl(dimethyl)silyl] 6-methylidene-2-oxobicyclo[3.2.0]heptane-1-carboxylate.

Molecular Properties

Compound Name[tert-butyl(dimethyl)silyl] 6-methylidene-2-oxobicyclo[3.2.0]heptane-1-carboxylate
PubChem CID15339080
Molecular FormulaC15H24O3Si
Molecular Weight280.44 g/mol
Exact Mass280.15
IUPAC Name[tert-butyl(dimethyl)silyl] 6-methylidene-2-oxobicyclo[3.2.0]heptane-1-carboxylate
SMILESC=C1CC2(C(=O)O[Si](C)(C)C(C)(C)C)C(=O)CCC12
InChIInChI=1S/C15H24O3Si/c1-10-9-15(11(10)7-8-12(15)16)13(17)18-19(5,6)14(2,3)4/h11H,1,7-9H2,2-6H3
InChIKeyHVJWTJFXPRRVBO-UHFFFAOYSA-N
XLogP3.46
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [tert-butyl(dimethyl)silyl] 6-methylidene-2-oxobicyclo[3.2.0]heptane-1-carboxylate?
The IUPAC name of [tert-butyl(dimethyl)silyl] 6-methylidene-2-oxobicyclo[3.2.0]heptane-1-carboxylate (CID 15339080) is [tert-butyl(dimethyl)silyl] 6-methylidene-2-oxobicyclo[3.2.0]heptane-1-carboxylate.
What is the SMILES notation for [tert-butyl(dimethyl)silyl] 6-methylidene-2-oxobicyclo[3.2.0]heptane-1-carboxylate?
The canonical SMILES for [tert-butyl(dimethyl)silyl] 6-methylidene-2-oxobicyclo[3.2.0]heptane-1-carboxylate is C=C1CC2(C(=O)O[Si](C)(C)C(C)(C)C)C(=O)CCC12.
What is the InChIKey of [tert-butyl(dimethyl)silyl] 6-methylidene-2-oxobicyclo[3.2.0]heptane-1-carboxylate?
The InChIKey is HVJWTJFXPRRVBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O3Si/c1-10-9-15(11(10)7-8-12(15)16)13(17)18-19(5,6)14(2,3)4/h11H,1,7-9H2,2-6H3.
What are the key properties of [tert-butyl(dimethyl)silyl] 6-methylidene-2-oxobicyclo[3.2.0]heptane-1-carboxylate?
[tert-butyl(dimethyl)silyl] 6-methylidene-2-oxobicyclo[3.2.0]heptane-1-carboxylate has a molecular weight of 280.44 g/mol, XLogP of 3.46, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [tert-butyl(dimethyl)silyl] 6-methylidene-2-oxobicyclo[3.2.0]heptane-1-carboxylate is sourced from PubChem (CID 15339080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).