methyl (1R,3R,6R,7R)-1,3-dimethoxy-2-oxo-4-oxatricyclo[4.3.1.03,7]dec-8-ene-8-carboxylate

C13H16O6 — CID 10706991

IUPACmethyl (1R,3R,6R,7R)-1,3-dimethoxy-2-oxo-4-oxatricyclo[4.3.1.03,7]dec-8-ene-8-carboxylate
SMILESCOC(=O)C1=C[C@]2(OC)C[C@H]3CO[C@@](OC)(C2=O)[C@@H]13
InChIInChI=1S/C13H16O6/c1-16-10(14)8-5-12(17-2)4-7-6-19-13(18-3,9(7)8)11(12)15/h5,7,9H,4,6H2,1-3H3/t7-,9+,12+,13+/m0/s1
InChIKeyPGLBOVQZUMVHKI-OVIHVDIASA-N
MW268.26 g/mol
LogP0.06
Rot. Bonds3

About methyl (1R,3R,6R,7R)-1,3-dimethoxy-2-oxo-4-oxatricyclo[4.3.1.03,7]dec-8-ene-8-carboxylate

methyl (1R,3R,6R,7R)-1,3-dimethoxy-2-oxo-4-oxatricyclo[4.3.1.03,7]dec-8-ene-8-carboxylate (PubChem CID 10706991) has the molecular formula C13H16O6 and a molecular weight of 268.26 g/mol. Its IUPAC name is methyl (1R,3R,6R,7R)-1,3-dimethoxy-2-oxo-4-oxatricyclo[4.3.1.03,7]dec-8-ene-8-carboxylate.

Molecular Properties

Compound Namemethyl (1R,3R,6R,7R)-1,3-dimethoxy-2-oxo-4-oxatricyclo[4.3.1.03,7]dec-8-ene-8-carboxylate
PubChem CID10706991
Molecular FormulaC13H16O6
Molecular Weight268.26 g/mol
Exact Mass268.09
IUPAC Namemethyl (1R,3R,6R,7R)-1,3-dimethoxy-2-oxo-4-oxatricyclo[4.3.1.03,7]dec-8-ene-8-carboxylate
SMILESCOC(=O)C1=C[C@]2(OC)C[C@H]3CO[C@@](OC)(C2=O)[C@@H]13
InChIInChI=1S/C13H16O6/c1-16-10(14)8-5-12(17-2)4-7-6-19-13(18-3,9(7)8)11(12)15/h5,7,9H,4,6H2,1-3H3/t7-,9+,12+,13+/m0/s1
InChIKeyPGLBOVQZUMVHKI-OVIHVDIASA-N
XLogP0.06
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.26
LogP ≤ 50.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl (1R,3R,6R,7R)-1,3-dimethoxy-2-oxo-4-oxatricyclo[4.3.1.03,7]dec-8-ene-8-carboxylate?
The IUPAC name of methyl (1R,3R,6R,7R)-1,3-dimethoxy-2-oxo-4-oxatricyclo[4.3.1.03,7]dec-8-ene-8-carboxylate (CID 10706991) is methyl (1R,3R,6R,7R)-1,3-dimethoxy-2-oxo-4-oxatricyclo[4.3.1.03,7]dec-8-ene-8-carboxylate.
What is the SMILES notation for methyl (1R,3R,6R,7R)-1,3-dimethoxy-2-oxo-4-oxatricyclo[4.3.1.03,7]dec-8-ene-8-carboxylate?
The canonical SMILES for methyl (1R,3R,6R,7R)-1,3-dimethoxy-2-oxo-4-oxatricyclo[4.3.1.03,7]dec-8-ene-8-carboxylate is COC(=O)C1=C[C@]2(OC)C[C@H]3CO[C@@](OC)(C2=O)[C@@H]13.
What is the InChIKey of methyl (1R,3R,6R,7R)-1,3-dimethoxy-2-oxo-4-oxatricyclo[4.3.1.03,7]dec-8-ene-8-carboxylate?
The InChIKey is PGLBOVQZUMVHKI-OVIHVDIASA-N. The full InChI is InChI=1S/C13H16O6/c1-16-10(14)8-5-12(17-2)4-7-6-19-13(18-3,9(7)8)11(12)15/h5,7,9H,4,6H2,1-3H3/t7-,9+,12+,13+/m0/s1.
What are the key properties of methyl (1R,3R,6R,7R)-1,3-dimethoxy-2-oxo-4-oxatricyclo[4.3.1.03,7]dec-8-ene-8-carboxylate?
methyl (1R,3R,6R,7R)-1,3-dimethoxy-2-oxo-4-oxatricyclo[4.3.1.03,7]dec-8-ene-8-carboxylate has a molecular weight of 268.26 g/mol, XLogP of 0.06, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1R,3R,6R,7R)-1,3-dimethoxy-2-oxo-4-oxatricyclo[4.3.1.03,7]dec-8-ene-8-carboxylate is sourced from PubChem (CID 10706991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).