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

C12H22O3Si — CID 11459165

IUPAC(4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-hydroxycyclohex-2-en-1-one
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1C=CC(=O)C[C@H]1O
InChIInChI=1S/C12H22O3Si/c1-12(2,3)16(4,5)15-11-7-6-9(13)8-10(11)14/h6-7,10-11,14H,8H2,1-5H3/t10-,11-/m1/s1
InChIKeyCMTZTMLBUCUEDG-GHMZBOCLSA-N
MW242.39 g/mol
LogP2.27
Rot. Bonds2

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

(4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-hydroxycyclohex-2-en-1-one (PubChem CID 11459165) has the molecular formula C12H22O3Si and a molecular weight of 242.39 g/mol. Its IUPAC name is (4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-hydroxycyclohex-2-en-1-one.

Molecular Properties

Compound Name(4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-hydroxycyclohex-2-en-1-one
PubChem CID11459165
Molecular FormulaC12H22O3Si
Molecular Weight242.39 g/mol
Exact Mass242.13
IUPAC Name(4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-hydroxycyclohex-2-en-1-one
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1C=CC(=O)C[C@H]1O
InChIInChI=1S/C12H22O3Si/c1-12(2,3)16(4,5)15-11-7-6-9(13)8-10(11)14/h6-7,10-11,14H,8H2,1-5H3/t10-,11-/m1/s1
InChIKeyCMTZTMLBUCUEDG-GHMZBOCLSA-N
XLogP2.27
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 52.27
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

(4R)-4-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-one
CID 10911273
(4S)-4-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-one
CID 11096317
2-Cyclohexen-1-one, 4-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-
CID 11345167
(4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxycyclopent-2-en-1-one
CID 10977248
(5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5-hydroxyhept-1-en-3-one
CID 11184496
(4S,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dihydroxy-6-methylcyclohex-2-en-1-one
CID 11973981
5-[Tert-butyl(dimethyl)silyl]oxy-4,6-dihydroxy-6-methylcyclohex-2-en-1-one
CID 73158193
(E,5S,6R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-5,6-dihydroxynon-3-en-2-one
CID 135037745
(4R,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohex-2-en-1-one
CID 15364500
4-{[tert-Butyl(dimethyl)silyl]oxy}-3-hydroxycyclopent-2-en-1-one
CID 14070870
(4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxycyclopent-2-en-1-one
CID 88901573
(4S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-4-hydroxycyclohex-2-en-1-one
CID 89612079

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-hydroxycyclohex-2-en-1-one?
The IUPAC name of (4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-hydroxycyclohex-2-en-1-one (CID 11459165) is (4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-hydroxycyclohex-2-en-1-one.
What is the SMILES notation for (4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-hydroxycyclohex-2-en-1-one?
The canonical SMILES for (4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-hydroxycyclohex-2-en-1-one is CC(C)(C)[Si](C)(C)O[C@@H]1C=CC(=O)C[C@H]1O.
What is the InChIKey of (4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-hydroxycyclohex-2-en-1-one?
The InChIKey is CMTZTMLBUCUEDG-GHMZBOCLSA-N. The full InChI is InChI=1S/C12H22O3Si/c1-12(2,3)16(4,5)15-11-7-6-9(13)8-10(11)14/h6-7,10-11,14H,8H2,1-5H3/t10-,11-/m1/s1.
What are the key properties of (4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-hydroxycyclohex-2-en-1-one?
(4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-hydroxycyclohex-2-en-1-one has a molecular weight of 242.39 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-hydroxycyclohex-2-en-1-one is sourced from PubChem (CID 11459165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).