(4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxycyclopent-2-en-1-one

C11H20O3Si — CID 88901573

IUPAC(4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxycyclopent-2-en-1-one
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1C(=O)C=C[C@@H]1O
InChIInChI=1S/C11H20O3Si/c1-11(2,3)15(4,5)14-10-8(12)6-7-9(10)13/h6-8,10,12H,1-5H3/t8-,10-/m0/s1
InChIKeyOBLRGQNVQVVXQW-WPRPVWTQSA-N
MW228.36 g/mol
LogP1.88
Rot. Bonds2

About (4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxycyclopent-2-en-1-one

(4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxycyclopent-2-en-1-one (PubChem CID 88901573) has the molecular formula C11H20O3Si and a molecular weight of 228.36 g/mol. Its IUPAC name is (4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxycyclopent-2-en-1-one.

Molecular Properties

Compound Name(4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxycyclopent-2-en-1-one
PubChem CID88901573
Molecular FormulaC11H20O3Si
Molecular Weight228.36 g/mol
Exact Mass228.12
IUPAC Name(4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxycyclopent-2-en-1-one
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1C(=O)C=C[C@@H]1O
InChIInChI=1S/C11H20O3Si/c1-11(2,3)15(4,5)14-10-8(12)6-7-9(10)13/h6-8,10,12H,1-5H3/t8-,10-/m0/s1
InChIKeyOBLRGQNVQVVXQW-WPRPVWTQSA-N
XLogP1.88
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 ≤ 51.88
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

(4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxycyclopent-2-en-1-one
CID 10977248
Fibpykpqjarqjl-uwvggrqhsa-
CID 14434984
4-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-3-[(E)-prop-1-enyl]cyclopent-2-en-1-one
CID 142677764
4-Hydroxycyclopent-2-en-1-one;4-trimethylsilyloxycyclopent-2-en-1-one
CID 161675782
(4S,5R)-2-[tert-butyl(dimethyl)silyl]oxy-4,5-dihydroxycyclopent-2-en-1-one
CID 10586416
(4S,5R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclopent-2-en-1-one
CID 10947880
(4S,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclopent-2-en-1-one
CID 11024337
(4R,5S)-2-bromo-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxycyclopent-2-en-1-one
CID 11034149
(4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-3-[(E)-prop-1-enyl]cyclopent-2-en-1-one
CID 11230976
(4S,5S)-4,5-dihydroxy-5-[tri(propan-2-yl)silyloxymethyl]cyclopent-2-en-1-one
CID 11308181
(4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxycyclohex-2-en-1-one
CID 11402246
(4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-hydroxycyclohex-2-en-1-one
CID 11459165

Frequently Asked Questions

What is the IUPAC name of (4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxycyclopent-2-en-1-one?
The IUPAC name of (4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxycyclopent-2-en-1-one (CID 88901573) is (4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxycyclopent-2-en-1-one.
What is the SMILES notation for (4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxycyclopent-2-en-1-one?
The canonical SMILES for (4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxycyclopent-2-en-1-one is CC(C)(C)[Si](C)(C)O[C@@H]1C(=O)C=C[C@@H]1O.
What is the InChIKey of (4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxycyclopent-2-en-1-one?
The InChIKey is OBLRGQNVQVVXQW-WPRPVWTQSA-N. The full InChI is InChI=1S/C11H20O3Si/c1-11(2,3)15(4,5)14-10-8(12)6-7-9(10)13/h6-8,10,12H,1-5H3/t8-,10-/m0/s1.
What are the key properties of (4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxycyclopent-2-en-1-one?
(4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxycyclopent-2-en-1-one has a molecular weight of 228.36 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxycyclopent-2-en-1-one is sourced from PubChem (CID 88901573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).