4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxycyclopent-2-en-1-one

C11H20O3Si — CID 14070870

IUPAC4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxycyclopent-2-en-1-one
SMILESCC(C)(C)[Si](C)(C)OC1CC(=O)C=C1O
InChIInChI=1S/C11H20O3Si/c1-11(2,3)15(4,5)14-10-7-8(12)6-9(10)13/h6,10,13H,7H2,1-5H3
InChIKeyLDUSTRNNJBHFIL-UHFFFAOYSA-N
MW228.36 g/mol
LogP2.79
Rot. Bonds2

About 4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxycyclopent-2-en-1-one

4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxycyclopent-2-en-1-one (PubChem CID 14070870) has the molecular formula C11H20O3Si and a molecular weight of 228.36 g/mol. Its IUPAC name is 4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxycyclopent-2-en-1-one.

Molecular Properties

Compound Name4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxycyclopent-2-en-1-one
PubChem CID14070870
Molecular FormulaC11H20O3Si
Molecular Weight228.36 g/mol
Exact Mass228.12
IUPAC Name4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxycyclopent-2-en-1-one
SMILESCC(C)(C)[Si](C)(C)OC1CC(=O)C=C1O
InChIInChI=1S/C11H20O3Si/c1-11(2,3)15(4,5)14-10-7-8(12)6-9(10)13/h6,10,13H,7H2,1-5H3
InChIKeyLDUSTRNNJBHFIL-UHFFFAOYSA-N
XLogP2.79
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[tert-butyl(dimethyl)silyl]oxy-3-(7-hydroxyheptyl)cyclopent-2-en-1-one
CID 20513649
7-[5-[tert-butyl(dimethyl)silyl]oxy-3-oxocyclopenten-1-yl]heptanoic acid
CID 20513648
methyl (6R)-6-[tert-butyl(dimethyl)silyl]oxy-3-oxocyclohexene-1-carboxylate
CID 134964315
(5S,6S,6aR)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]-4,5,6,6a-tetrahydro-1H-pentalen-2-one
CID 10643655
5-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-one
CID 13057933
(4R,6aR)-4-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethyl-1,4,6,6a-tetrahydropentalen-2-one
CID 101079024
(4S,5S,6aS)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4,5,6,6a-tetrahydro-1H-pentalen-2-one
CID 15835326
4-tert-butyl-3-hydroxycyclopent-2-en-1-one
CID 89308253
(3S)-3-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroinden-1-one
CID 101128093
4-[tert-butyl(dimethyl)silyl]oxy-3-[7-(oxan-2-yloxy)heptyl]cyclopent-2-en-1-one
CID 13216821
(4S)-4-[tert-butyl(dimethyl)silyl]oxypyrrolidin-3-one
CID 68797298
(2S,3S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxycyclohexan-1-one
CID 11288440

Frequently Asked Questions

What is the IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxycyclopent-2-en-1-one?
The IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxycyclopent-2-en-1-one (CID 14070870) is 4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxycyclopent-2-en-1-one.
What is the SMILES notation for 4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxycyclopent-2-en-1-one?
The canonical SMILES for 4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxycyclopent-2-en-1-one is CC(C)(C)[Si](C)(C)OC1CC(=O)C=C1O.
What is the InChIKey of 4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxycyclopent-2-en-1-one?
The InChIKey is LDUSTRNNJBHFIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O3Si/c1-11(2,3)15(4,5)14-10-7-8(12)6-9(10)13/h6,10,13H,7H2,1-5H3.
What are the key properties of 4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxycyclopent-2-en-1-one?
4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxycyclopent-2-en-1-one has a molecular weight of 228.36 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxycyclopent-2-en-1-one is sourced from PubChem (CID 14070870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).