methyl (1R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-1,5-dihydroxy-4-oxocyclohex-2-ene-1-carboxylate

C14H24O6Si — CID 10639143

IUPACmethyl (1R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-1,5-dihydroxy-4-oxocyclohex-2-ene-1-carboxylate
SMILESCOC(=O)[C@]1(O)C=C(O[Si](C)(C)C(C)(C)C)C(=O)[C@H](O)C1
InChIInChI=1S/C14H24O6Si/c1-13(2,3)21(5,6)20-10-8-14(18,12(17)19-4)7-9(15)11(10)16/h8-9,15,18H,7H2,1-6H3/t9-,14-/m1/s1
InChIKeyHLBZIBSDVHSRIE-YMTOWFKASA-N
MW316.43 g/mol
LogP1.13
Rot. Bonds3

About methyl (1R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-1,5-dihydroxy-4-oxocyclohex-2-ene-1-carboxylate

methyl (1R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-1,5-dihydroxy-4-oxocyclohex-2-ene-1-carboxylate (PubChem CID 10639143) has the molecular formula C14H24O6Si and a molecular weight of 316.43 g/mol. Its IUPAC name is methyl (1R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-1,5-dihydroxy-4-oxocyclohex-2-ene-1-carboxylate.

Molecular Properties

Compound Namemethyl (1R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-1,5-dihydroxy-4-oxocyclohex-2-ene-1-carboxylate
PubChem CID10639143
Molecular FormulaC14H24O6Si
Molecular Weight316.43 g/mol
Exact Mass316.13
IUPAC Namemethyl (1R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-1,5-dihydroxy-4-oxocyclohex-2-ene-1-carboxylate
SMILESCOC(=O)[C@]1(O)C=C(O[Si](C)(C)C(C)(C)C)C(=O)[C@H](O)C1
InChIInChI=1S/C14H24O6Si/c1-13(2,3)21(5,6)20-10-8-14(18,12(17)19-4)7-9(15)11(10)16/h8-9,15,18H,7H2,1-6H3/t9-,14-/m1/s1
InChIKeyHLBZIBSDVHSRIE-YMTOWFKASA-N
XLogP1.13
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 ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl (1R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-1,5-dihydroxy-4-oxocyclohex-2-ene-1-carboxylate?
The IUPAC name of methyl (1R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-1,5-dihydroxy-4-oxocyclohex-2-ene-1-carboxylate (CID 10639143) is methyl (1R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-1,5-dihydroxy-4-oxocyclohex-2-ene-1-carboxylate.
What is the SMILES notation for methyl (1R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-1,5-dihydroxy-4-oxocyclohex-2-ene-1-carboxylate?
The canonical SMILES for methyl (1R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-1,5-dihydroxy-4-oxocyclohex-2-ene-1-carboxylate is COC(=O)[C@]1(O)C=C(O[Si](C)(C)C(C)(C)C)C(=O)[C@H](O)C1.
What is the InChIKey of methyl (1R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-1,5-dihydroxy-4-oxocyclohex-2-ene-1-carboxylate?
The InChIKey is HLBZIBSDVHSRIE-YMTOWFKASA-N. The full InChI is InChI=1S/C14H24O6Si/c1-13(2,3)21(5,6)20-10-8-14(18,12(17)19-4)7-9(15)11(10)16/h8-9,15,18H,7H2,1-6H3/t9-,14-/m1/s1.
What are the key properties of methyl (1R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-1,5-dihydroxy-4-oxocyclohex-2-ene-1-carboxylate?
methyl (1R,5R)-3-[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 1.13, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-1,5-dihydroxy-4-oxocyclohex-2-ene-1-carboxylate is sourced from PubChem (CID 10639143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).