5-[tert-butyl(dimethyl)silyl]oxy-2-methylcycloheptan-1-one

C14H28O2Si — CID 20517420

IUPAC5-[tert-butyl(dimethyl)silyl]oxy-2-methylcycloheptan-1-one
SMILESCC1CCC(O[Si](C)(C)C(C)(C)C)CCC1=O
InChIInChI=1S/C14H28O2Si/c1-11-7-8-12(9-10-13(11)15)16-17(5,6)14(2,3)4/h11-12H,7-10H2,1-6H3
InChIKeyJRJYNEHMKALUNO-UHFFFAOYSA-N
MW256.46 g/mol
LogP4.16
Rot. Bonds2

About 5-[tert-butyl(dimethyl)silyl]oxy-2-methylcycloheptan-1-one

5-[tert-butyl(dimethyl)silyl]oxy-2-methylcycloheptan-1-one (PubChem CID 20517420) has the molecular formula C14H28O2Si and a molecular weight of 256.46 g/mol. Its IUPAC name is 5-[tert-butyl(dimethyl)silyl]oxy-2-methylcycloheptan-1-one.

Molecular Properties

Compound Name5-[tert-butyl(dimethyl)silyl]oxy-2-methylcycloheptan-1-one
PubChem CID20517420
Molecular FormulaC14H28O2Si
Molecular Weight256.46 g/mol
Exact Mass256.19
IUPAC Name5-[tert-butyl(dimethyl)silyl]oxy-2-methylcycloheptan-1-one
SMILESCC1CCC(O[Si](C)(C)C(C)(C)C)CCC1=O
InChIInChI=1S/C14H28O2Si/c1-11-7-8-12(9-10-13(11)15)16-17(5,6)14(2,3)4/h11-12H,7-10H2,1-6H3
InChIKeyJRJYNEHMKALUNO-UHFFFAOYSA-N
XLogP4.16
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.46
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[tert-butyl(dimethyl)silyl]oxy-2-methylcycloheptan-1-one?
The IUPAC name of 5-[tert-butyl(dimethyl)silyl]oxy-2-methylcycloheptan-1-one (CID 20517420) is 5-[tert-butyl(dimethyl)silyl]oxy-2-methylcycloheptan-1-one.
What is the SMILES notation for 5-[tert-butyl(dimethyl)silyl]oxy-2-methylcycloheptan-1-one?
The canonical SMILES for 5-[tert-butyl(dimethyl)silyl]oxy-2-methylcycloheptan-1-one is CC1CCC(O[Si](C)(C)C(C)(C)C)CCC1=O.
What is the InChIKey of 5-[tert-butyl(dimethyl)silyl]oxy-2-methylcycloheptan-1-one?
The InChIKey is JRJYNEHMKALUNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O2Si/c1-11-7-8-12(9-10-13(11)15)16-17(5,6)14(2,3)4/h11-12H,7-10H2,1-6H3.
What are the key properties of 5-[tert-butyl(dimethyl)silyl]oxy-2-methylcycloheptan-1-one?
5-[tert-butyl(dimethyl)silyl]oxy-2-methylcycloheptan-1-one has a molecular weight of 256.46 g/mol, XLogP of 4.16, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[tert-butyl(dimethyl)silyl]oxy-2-methylcycloheptan-1-one is sourced from PubChem (CID 20517420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).