5-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-one

C11H20O2Si — CID 13057933

IUPAC5-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-one
SMILESCC(C)(C)[Si](C)(C)OC1CC=CC1=O
InChIInChI=1S/C11H20O2Si/c1-11(2,3)14(4,5)13-10-8-6-7-9(10)12/h6-7,10H,8H2,1-5H3
InChIKeyXCVIJZJXYKLRTG-UHFFFAOYSA-N
MW212.36 g/mol
LogP2.91
Rot. Bonds2

About 5-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-one

5-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-one (PubChem CID 13057933) has the molecular formula C11H20O2Si and a molecular weight of 212.36 g/mol. Its IUPAC name is 5-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-one.

Molecular Properties

Compound Name5-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-one
PubChem CID13057933
Molecular FormulaC11H20O2Si
Molecular Weight212.36 g/mol
Exact Mass212.12
IUPAC Name5-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-one
SMILESCC(C)(C)[Si](C)(C)OC1CC=CC1=O
InChIInChI=1S/C11H20O2Si/c1-11(2,3)14(4,5)13-10-8-6-7-9(10)12/h6-7,10H,8H2,1-5H3
InChIKeyXCVIJZJXYKLRTG-UHFFFAOYSA-N
XLogP2.91
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.36
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3E,6S,12R)-6-[tert-butyl(dimethyl)silyl]oxy-12-methyl-1-oxacyclododec-3-ene-2,5-dione
CID 134831896
4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxycyclopent-2-en-1-one
CID 14070870
(4S)-4-[tert-butyl(dimethyl)silyl]oxy-6-methylcyclohex-2-en-1-one
CID 24814599
(4S)-4-[tert-butyl(dimethyl)silyl]oxypyrrolidin-3-one
CID 68797298
(4R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylcyclohex-2-en-1-one
CID 23631211
(3S)-3-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroinden-1-one
CID 101128093
2-[tert-butyl(dimethyl)silyl]oxycycloheptan-1-one
CID 14396580
4-[tert-butyl(dimethyl)silyl]oxycyclobutene-1-carbonitrile
CID 102012979
(4R,7aS)-4-[tert-butyl(dimethyl)silyl]oxy-3-trimethylgermyl-1,4,5,6,7,7a-hexahydroinden-2-one
CID 12013197
ethyl 2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-2,3,4,5-tetrahydro-1H-inden-4-yl]-2,2-difluoroacetate
CID 162591066
(4S,5R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohex-2-en-1-one
CID 11100395
(3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylpyrrolidin-2-one
CID 89246042

Frequently Asked Questions

What is the IUPAC name of 5-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-one?
The IUPAC name of 5-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-one (CID 13057933) is 5-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-one.
What is the SMILES notation for 5-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-one?
The canonical SMILES for 5-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-one is CC(C)(C)[Si](C)(C)OC1CC=CC1=O.
What is the InChIKey of 5-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-one?
The InChIKey is XCVIJZJXYKLRTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2Si/c1-11(2,3)14(4,5)13-10-8-6-7-9(10)12/h6-7,10H,8H2,1-5H3.
What are the key properties of 5-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-one?
5-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-one has a molecular weight of 212.36 g/mol, XLogP of 2.91, 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]oxycyclopent-2-en-1-one is sourced from PubChem (CID 13057933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).