methyl (1S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-1,5-dihydroxy-4-oxocyclohex-2-ene-1-carboxylate

C14H24O6Si — CID 132938977

IUPACmethyl (1S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-1,5-dihydroxy-4-oxocyclohex-2-ene-1-carboxylate
SMILESCOC(=O)[C@]1(O)C=CC(=O)C(O)[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H24O6Si/c1-13(2,3)21(5,6)20-11-10(16)9(15)7-8-14(11,18)12(17)19-4/h7-8,10-11,16,18H,1-6H3/t10?,11-,14+/m1/s1
InChIKeyWWPXSFWHNRRPLM-DRKXBUQZSA-N
MW316.43 g/mol
LogP0.78
Rot. Bonds3

About methyl (1S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-1,5-dihydroxy-4-oxocyclohex-2-ene-1-carboxylate

methyl (1S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-1,5-dihydroxy-4-oxocyclohex-2-ene-1-carboxylate (PubChem CID 132938977) has the molecular formula C14H24O6Si and a molecular weight of 316.43 g/mol. Its IUPAC name is methyl (1S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-1,5-dihydroxy-4-oxocyclohex-2-ene-1-carboxylate.

Molecular Properties

Compound Namemethyl (1S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-1,5-dihydroxy-4-oxocyclohex-2-ene-1-carboxylate
PubChem CID132938977
Molecular FormulaC14H24O6Si
Molecular Weight316.43 g/mol
Exact Mass316.13
IUPAC Namemethyl (1S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-1,5-dihydroxy-4-oxocyclohex-2-ene-1-carboxylate
SMILESCOC(=O)[C@]1(O)C=CC(=O)C(O)[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H24O6Si/c1-13(2,3)21(5,6)20-11-10(16)9(15)7-8-14(11,18)12(17)19-4/h7-8,10-11,16,18H,1-6H3/t10?,11-,14+/m1/s1
InChIKeyWWPXSFWHNRRPLM-DRKXBUQZSA-N
XLogP0.78
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze methyl (1S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-1,5-dihydroxy-4-oxocyclohex-2-ene-1-carboxylate with MolForge

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Related Compounds

methyl (1R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-1,5-dihydroxy-4-oxocyclohex-2-ene-1-carboxylate
CID 10639143
2-Methylpropyl 1-hydroxy-6-(2-methylpropoxy)-4-oxocyclohex-2-ene-1-carboxylate
CID 56984303
Ethyl 6-ethoxy-1-hydroxy-4-oxocyclohex-2-ene-1-carboxylate
CID 90837162
methyl (1R,4R,5R)-1-[tert-butyl(dimethyl)silyl]oxy-4,5-dihydroxycyclohex-2-ene-1-carboxylate
CID 11483486
methyl (1S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-1-hydroxycyclohex-2-ene-1-carboxylate
CID 46853870
[(1S,2S,6R)-2-[dimethyl(2-methylbutan-2-yl)silyl]oxy-6-hydroxy-6-methyl-5-oxocyclohex-3-en-1-yl] acetate
CID 101220200
methyl (1S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-1,4,5-trihydroxycyclohex-2-ene-1-carboxylate
CID 132938980

Frequently Asked Questions

What is the IUPAC name of methyl (1S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-1,5-dihydroxy-4-oxocyclohex-2-ene-1-carboxylate?
The IUPAC name of methyl (1S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-1,5-dihydroxy-4-oxocyclohex-2-ene-1-carboxylate (CID 132938977) is methyl (1S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-1,5-dihydroxy-4-oxocyclohex-2-ene-1-carboxylate.
What is the SMILES notation for methyl (1S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-1,5-dihydroxy-4-oxocyclohex-2-ene-1-carboxylate?
The canonical SMILES for methyl (1S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-1,5-dihydroxy-4-oxocyclohex-2-ene-1-carboxylate is COC(=O)[C@]1(O)C=CC(=O)C(O)[C@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl (1S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-1,5-dihydroxy-4-oxocyclohex-2-ene-1-carboxylate?
The InChIKey is WWPXSFWHNRRPLM-DRKXBUQZSA-N. The full InChI is InChI=1S/C14H24O6Si/c1-13(2,3)21(5,6)20-11-10(16)9(15)7-8-14(11,18)12(17)19-4/h7-8,10-11,16,18H,1-6H3/t10?,11-,14+/m1/s1.
What are the key properties of methyl (1S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-1,5-dihydroxy-4-oxocyclohex-2-ene-1-carboxylate?
methyl (1S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-1,5-dihydroxy-4-oxocyclohex-2-ene-1-carboxylate has a molecular weight of 316.43 g/mol, XLogP of 0.78, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-1,5-dihydroxy-4-oxocyclohex-2-ene-1-carboxylate is sourced from PubChem (CID 132938977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).