4-[tert-butyl(dimethyl)silyl]bicyclo[2.2.2]octane-2,6-dione

C14H24O2Si — CID 135085936

IUPAC4-[tert-butyl(dimethyl)silyl]bicyclo[2.2.2]octane-2,6-dione
SMILESCC(C)(C)[Si](C)(C)C12CCC(C(=O)C1)C(=O)C2
InChIInChI=1S/C14H24O2Si/c1-13(2,3)17(4,5)14-7-6-10(11(15)8-14)12(16)9-14/h10H,6-9H2,1-5H3
InChIKeyXVLYHDUEGWJOEJ-UHFFFAOYSA-N
MW252.43 g/mol
LogP3.58
Rot. Bonds1

About 4-[tert-butyl(dimethyl)silyl]bicyclo[2.2.2]octane-2,6-dione

4-[tert-butyl(dimethyl)silyl]bicyclo[2.2.2]octane-2,6-dione (PubChem CID 135085936) has the molecular formula C14H24O2Si and a molecular weight of 252.43 g/mol. Its IUPAC name is 4-[tert-butyl(dimethyl)silyl]bicyclo[2.2.2]octane-2,6-dione.

Molecular Properties

Compound Name4-[tert-butyl(dimethyl)silyl]bicyclo[2.2.2]octane-2,6-dione
PubChem CID135085936
Molecular FormulaC14H24O2Si
Molecular Weight252.43 g/mol
Exact Mass252.15
IUPAC Name4-[tert-butyl(dimethyl)silyl]bicyclo[2.2.2]octane-2,6-dione
SMILESCC(C)(C)[Si](C)(C)C12CCC(C(=O)C1)C(=O)C2
InChIInChI=1S/C14H24O2Si/c1-13(2,3)17(4,5)14-7-6-10(11(15)8-14)12(16)9-14/h10H,6-9H2,1-5H3
InChIKeyXVLYHDUEGWJOEJ-UHFFFAOYSA-N
XLogP3.58
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.43
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[tert-butyl(dimethyl)silyl]bicyclo[2.2.2]octane-2,6-dione?
The IUPAC name of 4-[tert-butyl(dimethyl)silyl]bicyclo[2.2.2]octane-2,6-dione (CID 135085936) is 4-[tert-butyl(dimethyl)silyl]bicyclo[2.2.2]octane-2,6-dione.
What is the SMILES notation for 4-[tert-butyl(dimethyl)silyl]bicyclo[2.2.2]octane-2,6-dione?
The canonical SMILES for 4-[tert-butyl(dimethyl)silyl]bicyclo[2.2.2]octane-2,6-dione is CC(C)(C)[Si](C)(C)C12CCC(C(=O)C1)C(=O)C2.
What is the InChIKey of 4-[tert-butyl(dimethyl)silyl]bicyclo[2.2.2]octane-2,6-dione?
The InChIKey is XVLYHDUEGWJOEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2Si/c1-13(2,3)17(4,5)14-7-6-10(11(15)8-14)12(16)9-14/h10H,6-9H2,1-5H3.
What are the key properties of 4-[tert-butyl(dimethyl)silyl]bicyclo[2.2.2]octane-2,6-dione?
4-[tert-butyl(dimethyl)silyl]bicyclo[2.2.2]octane-2,6-dione has a molecular weight of 252.43 g/mol, XLogP of 3.58, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[tert-butyl(dimethyl)silyl]bicyclo[2.2.2]octane-2,6-dione is sourced from PubChem (CID 135085936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).