3-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclobutan-1-one

C11H22O2Si — CID 14034886

IUPAC3-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclobutan-1-one
SMILESCC1C(=O)CC1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C11H22O2Si/c1-8-9(12)7-10(8)13-14(5,6)11(2,3)4/h8,10H,7H2,1-6H3
InChIKeyPGERURUEBDOWFR-UHFFFAOYSA-N
MW214.38 g/mol
LogP2.99
Rot. Bonds2

About 3-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclobutan-1-one

3-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclobutan-1-one (PubChem CID 14034886) has the molecular formula C11H22O2Si and a molecular weight of 214.38 g/mol. Its IUPAC name is 3-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclobutan-1-one.

Molecular Properties

Compound Name3-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclobutan-1-one
PubChem CID14034886
Molecular FormulaC11H22O2Si
Molecular Weight214.38 g/mol
Exact Mass214.14
IUPAC Name3-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclobutan-1-one
SMILESCC1C(=O)CC1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C11H22O2Si/c1-8-9(12)7-10(8)13-14(5,6)11(2,3)4/h8,10H,7H2,1-6H3
InChIKeyPGERURUEBDOWFR-UHFFFAOYSA-N
XLogP2.99
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.38
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1S,2S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-oxocyclopentane-1-carbaldehyde
CID 11149544
(2S,3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-prop-1-en-2-ylcyclohexan-1-one
CID 124639963
(1R,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-6,7-dimethylbicyclo[3.2.1]octan-2-one
CID 102300600
methyl (1R,2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-oxocyclopentane-1-carboxylate
CID 11140705
(3S,3aR,5S,6R,7aS)-3-[tert-butyl(dimethyl)silyl]oxy-5,6-dihydroxy-2,3,3a,4,5,6,7,7a-octahydroinden-1-one
CID 11558490
(3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1,3-dimethylpyrrolidin-2-one
CID 91297949
(2S,3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-[(E)-3-[tert-butyl(dimethyl)silyl]oxy-3-phenylprop-1-enyl]-2-methylcyclopentan-1-one
CID 11271463
(3R,3aR,8R,8aR)-8-[tert-butyl(dimethyl)silyl]oxy-3-methyl-2,3,3a,4,6,7,8,8a-octahydro-1H-azulen-5-one
CID 11231781
(4S,5R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohex-2-en-1-one
CID 11100395
(1R,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-7-oxabicyclo[4.1.0]heptan-2-one
CID 11333985
(2R,3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-phenylcyclohexan-1-one
CID 101106032
(3S,4R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methylcyclohexan-1-one
CID 11165096

Frequently Asked Questions

What is the IUPAC name of 3-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclobutan-1-one?
The IUPAC name of 3-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclobutan-1-one (CID 14034886) is 3-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclobutan-1-one.
What is the SMILES notation for 3-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclobutan-1-one?
The canonical SMILES for 3-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclobutan-1-one is CC1C(=O)CC1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 3-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclobutan-1-one?
The InChIKey is PGERURUEBDOWFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2Si/c1-8-9(12)7-10(8)13-14(5,6)11(2,3)4/h8,10H,7H2,1-6H3.
What are the key properties of 3-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclobutan-1-one?
3-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclobutan-1-one has a molecular weight of 214.38 g/mol, XLogP of 2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclobutan-1-one is sourced from PubChem (CID 14034886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).