dimethyl 2,4-dimethoxy-3-oxabicyclo[3.2.0]heptane-6,7-dicarboxylate

C12H18O7 — CID 91738051

IUPACdimethyl 2,4-dimethoxy-3-oxabicyclo[3.2.0]heptane-6,7-dicarboxylate
SMILESCOC(=O)C1C(C(=O)OC)C2C(OC)OC(OC)C12
InChIInChI=1S/C12H18O7/c1-15-9(13)5-6(10(14)16-2)8-7(5)11(17-3)19-12(8)18-4/h5-8,11-12H,1-4H3
InChIKeyUDIAUFMBXLYSNG-UHFFFAOYSA-N
MW274.27 g/mol
LogP-0.21
Rot. Bonds4

About dimethyl 2,4-dimethoxy-3-oxabicyclo[3.2.0]heptane-6,7-dicarboxylate

dimethyl 2,4-dimethoxy-3-oxabicyclo[3.2.0]heptane-6,7-dicarboxylate (PubChem CID 91738051) has the molecular formula C12H18O7 and a molecular weight of 274.27 g/mol. Its IUPAC name is dimethyl 2,4-dimethoxy-3-oxabicyclo[3.2.0]heptane-6,7-dicarboxylate.

Molecular Properties

Compound Namedimethyl 2,4-dimethoxy-3-oxabicyclo[3.2.0]heptane-6,7-dicarboxylate
PubChem CID91738051
Molecular FormulaC12H18O7
Molecular Weight274.27 g/mol
Exact Mass274.11
IUPAC Namedimethyl 2,4-dimethoxy-3-oxabicyclo[3.2.0]heptane-6,7-dicarboxylate
SMILESCOC(=O)C1C(C(=O)OC)C2C(OC)OC(OC)C12
InChIInChI=1S/C12H18O7/c1-15-9(13)5-6(10(14)16-2)8-7(5)11(17-3)19-12(8)18-4/h5-8,11-12H,1-4H3
InChIKeyUDIAUFMBXLYSNG-UHFFFAOYSA-N
XLogP-0.21
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.27
LogP ≤ 5-0.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

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(1S,2R,6S,7S)-4,9,11-trioxatricyclo[5.5.0.02,6]dodecan-3-one
CID 54763779
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CID 18716736
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CID 18716737
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CID 18716738
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CID 22898120
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Methyl 7-formyl-2,4-dioxo-3-oxabicyclo[3.2.0]heptane-6-carboxylate
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Frequently Asked Questions

What is the IUPAC name of dimethyl 2,4-dimethoxy-3-oxabicyclo[3.2.0]heptane-6,7-dicarboxylate?
The IUPAC name of dimethyl 2,4-dimethoxy-3-oxabicyclo[3.2.0]heptane-6,7-dicarboxylate (CID 91738051) is dimethyl 2,4-dimethoxy-3-oxabicyclo[3.2.0]heptane-6,7-dicarboxylate.
What is the SMILES notation for dimethyl 2,4-dimethoxy-3-oxabicyclo[3.2.0]heptane-6,7-dicarboxylate?
The canonical SMILES for dimethyl 2,4-dimethoxy-3-oxabicyclo[3.2.0]heptane-6,7-dicarboxylate is COC(=O)C1C(C(=O)OC)C2C(OC)OC(OC)C12.
What is the InChIKey of dimethyl 2,4-dimethoxy-3-oxabicyclo[3.2.0]heptane-6,7-dicarboxylate?
The InChIKey is UDIAUFMBXLYSNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O7/c1-15-9(13)5-6(10(14)16-2)8-7(5)11(17-3)19-12(8)18-4/h5-8,11-12H,1-4H3.
What are the key properties of dimethyl 2,4-dimethoxy-3-oxabicyclo[3.2.0]heptane-6,7-dicarboxylate?
dimethyl 2,4-dimethoxy-3-oxabicyclo[3.2.0]heptane-6,7-dicarboxylate has a molecular weight of 274.27 g/mol, XLogP of -0.21, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2,4-dimethoxy-3-oxabicyclo[3.2.0]heptane-6,7-dicarboxylate is sourced from PubChem (CID 91738051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).