2-[tert-butyl(dimethyl)silyl]-2-methylcyclohexane-1,3-dione

C13H24O2Si — CID 67592133

IUPAC2-[tert-butyl(dimethyl)silyl]-2-methylcyclohexane-1,3-dione
SMILESCC(C)(C)[Si](C)(C)C1(C)C(=O)CCCC1=O
InChIInChI=1S/C13H24O2Si/c1-12(2,3)16(5,6)13(4)10(14)8-7-9-11(13)15/h7-9H2,1-6H3
InChIKeyDUDYYJFFNRRLJG-UHFFFAOYSA-N
MW240.42 g/mol
LogP3.58
Rot. Bonds1

About 2-[tert-butyl(dimethyl)silyl]-2-methylcyclohexane-1,3-dione

2-[tert-butyl(dimethyl)silyl]-2-methylcyclohexane-1,3-dione (PubChem CID 67592133) has the molecular formula C13H24O2Si and a molecular weight of 240.42 g/mol. Its IUPAC name is 2-[tert-butyl(dimethyl)silyl]-2-methylcyclohexane-1,3-dione.

Molecular Properties

Compound Name2-[tert-butyl(dimethyl)silyl]-2-methylcyclohexane-1,3-dione
PubChem CID67592133
Molecular FormulaC13H24O2Si
Molecular Weight240.42 g/mol
Exact Mass240.15
IUPAC Name2-[tert-butyl(dimethyl)silyl]-2-methylcyclohexane-1,3-dione
SMILESCC(C)(C)[Si](C)(C)C1(C)C(=O)CCCC1=O
InChIInChI=1S/C13H24O2Si/c1-12(2,3)16(5,6)13(4)10(14)8-7-9-11(13)15/h7-9H2,1-6H3
InChIKeyDUDYYJFFNRRLJG-UHFFFAOYSA-N
XLogP3.58
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.42
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 2-[tert-butyl(dimethyl)silyl]-2-methylcyclohexane-1,3-dione?
The IUPAC name of 2-[tert-butyl(dimethyl)silyl]-2-methylcyclohexane-1,3-dione (CID 67592133) is 2-[tert-butyl(dimethyl)silyl]-2-methylcyclohexane-1,3-dione.
What is the SMILES notation for 2-[tert-butyl(dimethyl)silyl]-2-methylcyclohexane-1,3-dione?
The canonical SMILES for 2-[tert-butyl(dimethyl)silyl]-2-methylcyclohexane-1,3-dione is CC(C)(C)[Si](C)(C)C1(C)C(=O)CCCC1=O.
What is the InChIKey of 2-[tert-butyl(dimethyl)silyl]-2-methylcyclohexane-1,3-dione?
The InChIKey is DUDYYJFFNRRLJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2Si/c1-12(2,3)16(5,6)13(4)10(14)8-7-9-11(13)15/h7-9H2,1-6H3.
What are the key properties of 2-[tert-butyl(dimethyl)silyl]-2-methylcyclohexane-1,3-dione?
2-[tert-butyl(dimethyl)silyl]-2-methylcyclohexane-1,3-dione has a molecular weight of 240.42 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 2-[tert-butyl(dimethyl)silyl]-2-methylcyclohexane-1,3-dione is sourced from PubChem (CID 67592133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).