(4R)-4-[tert-butyl(dimethyl)silyl]oxy-4-methylcyclopent-2-en-1-one

C12H22O2Si — CID 134967649

IUPAC(4R)-4-[tert-butyl(dimethyl)silyl]oxy-4-methylcyclopent-2-en-1-one
SMILESCC(C)(C)[Si](C)(C)O[C@@]1(C)C=CC(=O)C1
InChIInChI=1S/C12H22O2Si/c1-11(2,3)15(5,6)14-12(4)8-7-10(13)9-12/h7-8H,9H2,1-6H3/t12-/m0/s1
InChIKeyXKWKWCIIAQCIIP-LBPRGKRZSA-N
MW226.39 g/mol
LogP3.30
Rot. Bonds2

About (4R)-4-[tert-butyl(dimethyl)silyl]oxy-4-methylcyclopent-2-en-1-one

(4R)-4-[tert-butyl(dimethyl)silyl]oxy-4-methylcyclopent-2-en-1-one (PubChem CID 134967649) has the molecular formula C12H22O2Si and a molecular weight of 226.39 g/mol. Its IUPAC name is (4R)-4-[tert-butyl(dimethyl)silyl]oxy-4-methylcyclopent-2-en-1-one.

Molecular Properties

Compound Name(4R)-4-[tert-butyl(dimethyl)silyl]oxy-4-methylcyclopent-2-en-1-one
PubChem CID134967649
Molecular FormulaC12H22O2Si
Molecular Weight226.39 g/mol
Exact Mass226.14
IUPAC Name(4R)-4-[tert-butyl(dimethyl)silyl]oxy-4-methylcyclopent-2-en-1-one
SMILESCC(C)(C)[Si](C)(C)O[C@@]1(C)C=CC(=O)C1
InChIInChI=1S/C12H22O2Si/c1-11(2,3)15(5,6)14-12(4)8-7-10(13)9-12/h7-8H,9H2,1-6H3/t12-/m0/s1
InChIKeyXKWKWCIIAQCIIP-LBPRGKRZSA-N
XLogP3.30
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.39
LogP ≤ 53.30
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

2-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclohexan-1-one
CID 67592134
(2R,3R)-2-methyl-2-trimethylsilyl-1-oxaspiro[2.4]hept-4-en-6-one
CID 71507304
ethyl (2Z)-2-[(2E,7E,11E)-4-[tert-butyl(dimethyl)silyl]oxy-4,8,12-trimethylcyclotetradeca-2,7,11-trien-1-ylidene]acetate
CID 135037463
tert-butyl-dimethyl-(1-prop-2-enylcyclobutyl)oxysilane
CID 66844818
6,6-dimethylcyclohept-2-ene-1,4-dione
CID 70336025
(4S)-4-methyl-4-pent-4-enylcyclopent-2-en-1-one
CID 42643548
(1S,5R,7S)-7-[tert-butyl(dimethyl)silyl]oxy-4,6,6-trimethylbicyclo[3.1.1]hept-3-en-2-one
CID 135037738
5-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-4-methoxy-4-prop-1-en-2-ylcyclohex-2-en-1-one
CID 10690701
4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxycyclopent-2-en-1-one
CID 14070870
(1-but-3-enylcyclopent-3-en-1-yl)oxy-tert-butyl-dimethylsilane
CID 11470770
(4R)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methyloxetan-2-one
CID 162507915
tert-butyl-(1,3-dimethylcyclobutyl)oxy-dimethylsilane
CID 174101366

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[tert-butyl(dimethyl)silyl]oxy-4-methylcyclopent-2-en-1-one?
The IUPAC name of (4R)-4-[tert-butyl(dimethyl)silyl]oxy-4-methylcyclopent-2-en-1-one (CID 134967649) is (4R)-4-[tert-butyl(dimethyl)silyl]oxy-4-methylcyclopent-2-en-1-one.
What is the SMILES notation for (4R)-4-[tert-butyl(dimethyl)silyl]oxy-4-methylcyclopent-2-en-1-one?
The canonical SMILES for (4R)-4-[tert-butyl(dimethyl)silyl]oxy-4-methylcyclopent-2-en-1-one is CC(C)(C)[Si](C)(C)O[C@@]1(C)C=CC(=O)C1.
What is the InChIKey of (4R)-4-[tert-butyl(dimethyl)silyl]oxy-4-methylcyclopent-2-en-1-one?
The InChIKey is XKWKWCIIAQCIIP-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H22O2Si/c1-11(2,3)15(5,6)14-12(4)8-7-10(13)9-12/h7-8H,9H2,1-6H3/t12-/m0/s1.
What are the key properties of (4R)-4-[tert-butyl(dimethyl)silyl]oxy-4-methylcyclopent-2-en-1-one?
(4R)-4-[tert-butyl(dimethyl)silyl]oxy-4-methylcyclopent-2-en-1-one has a molecular weight of 226.39 g/mol, XLogP of 3.30, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[tert-butyl(dimethyl)silyl]oxy-4-methylcyclopent-2-en-1-one is sourced from PubChem (CID 134967649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).