dimethyl (1R,5R)-1-methyl-4-oxo-8-oxabicyclo[3.2.1]oct-6-ene-6,7-dicarboxylate

C12H14O6 — CID 11021425

IUPACdimethyl (1R,5R)-1-methyl-4-oxo-8-oxabicyclo[3.2.1]oct-6-ene-6,7-dicarboxylate
SMILESCOC(=O)C1=C(C(=O)OC)[C@@]2(C)CCC(=O)[C@@H]1O2
InChIInChI=1S/C12H14O6/c1-12-5-4-6(13)9(18-12)7(10(14)16-2)8(12)11(15)17-3/h9H,4-5H2,1-3H3/t9-,12+/m0/s1
InChIKeyWSAZVAMDOGNEAV-JOYOIKCWSA-N
MW254.24 g/mol
LogP0.15
Rot. Bonds2

About dimethyl (1R,5R)-1-methyl-4-oxo-8-oxabicyclo[3.2.1]oct-6-ene-6,7-dicarboxylate

dimethyl (1R,5R)-1-methyl-4-oxo-8-oxabicyclo[3.2.1]oct-6-ene-6,7-dicarboxylate (PubChem CID 11021425) has the molecular formula C12H14O6 and a molecular weight of 254.24 g/mol. Its IUPAC name is dimethyl (1R,5R)-1-methyl-4-oxo-8-oxabicyclo[3.2.1]oct-6-ene-6,7-dicarboxylate.

Molecular Properties

Compound Namedimethyl (1R,5R)-1-methyl-4-oxo-8-oxabicyclo[3.2.1]oct-6-ene-6,7-dicarboxylate
PubChem CID11021425
Molecular FormulaC12H14O6
Molecular Weight254.24 g/mol
Exact Mass254.08
IUPAC Namedimethyl (1R,5R)-1-methyl-4-oxo-8-oxabicyclo[3.2.1]oct-6-ene-6,7-dicarboxylate
SMILESCOC(=O)C1=C(C(=O)OC)[C@@]2(C)CCC(=O)[C@@H]1O2
InChIInChI=1S/C12H14O6/c1-12-5-4-6(13)9(18-12)7(10(14)16-2)8(12)11(15)17-3/h9H,4-5H2,1-3H3/t9-,12+/m0/s1
InChIKeyWSAZVAMDOGNEAV-JOYOIKCWSA-N
XLogP0.15
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.24
LogP ≤ 50.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze dimethyl (1R,5R)-1-methyl-4-oxo-8-oxabicyclo[3.2.1]oct-6-ene-6,7-dicarboxylate with MolForge

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Launch Full Analysis

Related Compounds

Dimethyl 1-methyl-3-oxo-7-oxaspiro[bicyclo[2.2.1]heptane-2,1'-cyclopropane]-5-ene-5,6-dicarboxylate
CID 361151
Methyl 5-methyl-2-oxo-8-oxabicyclo[3.2.1]oct-6-ene-6-carboxylate
CID 361140
Dimethyl 2,6-dioxo-1-oxaspiro[4.6]undec-3-ene-3,4-dicarboxylate
CID 364664
Dimethyl 1-methyl-4-oxo-8-oxabicyclo[3.2.1]oct-6-ene-6,7-dicarboxylate
CID 379169
1-Ethyl 6,7-dimethyl 2-oxo-8-oxabicyclo[3.2.1]oct-6-ene-1,6,7-tricarboxylate
CID 379187
1-O-ethyl 6-O,7-O-dimethyl (1R,5R)-2-oxo-5-pentyl-8-oxabicyclo[3.2.1]oct-6-ene-1,6,7-tricarboxylate
CID 122378797
Dimethyl 1-formyl-7-oxabicyclo[2.2.1]hept-2-ene-2,3-dicarboxylate
CID 134890979
Dimethyl 1-acetyl-5,6-dimethylidene-7-oxabicyclo[2.2.1]hept-2-ene-2,3-dicarboxylate
CID 15247595
dimethyl (1R,5R)-1-hex-5-enyl-4-oxo-8-oxabicyclo[3.2.1]oct-6-ene-6,7-dicarboxylate
CID 10245560
dimethyl (1R,5R)-1-hept-6-enyl-4-oxo-8-oxabicyclo[3.2.1]oct-6-ene-6,7-dicarboxylate
CID 10382367
dimethyl (1R,5R)-1-but-3-enyl-4-oxo-8-oxabicyclo[3.2.1]oct-6-ene-6,7-dicarboxylate
CID 10447147
dimethyl (1S,5R)-1-acetyl-5-methyl-8-oxabicyclo[3.2.1]oct-6-ene-6,7-dicarboxylate
CID 10636596

Frequently Asked Questions

What is the IUPAC name of dimethyl (1R,5R)-1-methyl-4-oxo-8-oxabicyclo[3.2.1]oct-6-ene-6,7-dicarboxylate?
The IUPAC name of dimethyl (1R,5R)-1-methyl-4-oxo-8-oxabicyclo[3.2.1]oct-6-ene-6,7-dicarboxylate (CID 11021425) is dimethyl (1R,5R)-1-methyl-4-oxo-8-oxabicyclo[3.2.1]oct-6-ene-6,7-dicarboxylate.
What is the SMILES notation for dimethyl (1R,5R)-1-methyl-4-oxo-8-oxabicyclo[3.2.1]oct-6-ene-6,7-dicarboxylate?
The canonical SMILES for dimethyl (1R,5R)-1-methyl-4-oxo-8-oxabicyclo[3.2.1]oct-6-ene-6,7-dicarboxylate is COC(=O)C1=C(C(=O)OC)[C@@]2(C)CCC(=O)[C@@H]1O2.
What is the InChIKey of dimethyl (1R,5R)-1-methyl-4-oxo-8-oxabicyclo[3.2.1]oct-6-ene-6,7-dicarboxylate?
The InChIKey is WSAZVAMDOGNEAV-JOYOIKCWSA-N. The full InChI is InChI=1S/C12H14O6/c1-12-5-4-6(13)9(18-12)7(10(14)16-2)8(12)11(15)17-3/h9H,4-5H2,1-3H3/t9-,12+/m0/s1.
What are the key properties of dimethyl (1R,5R)-1-methyl-4-oxo-8-oxabicyclo[3.2.1]oct-6-ene-6,7-dicarboxylate?
dimethyl (1R,5R)-1-methyl-4-oxo-8-oxabicyclo[3.2.1]oct-6-ene-6,7-dicarboxylate has a molecular weight of 254.24 g/mol, XLogP of 0.15, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (1R,5R)-1-methyl-4-oxo-8-oxabicyclo[3.2.1]oct-6-ene-6,7-dicarboxylate is sourced from PubChem (CID 11021425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).