dimethyl (1R)-2-oxabicyclo[3.2.0]heptane-3,7-dicarboxylate

C10H14O5 — CID 126707145

IUPACdimethyl (1R)-2-oxabicyclo[3.2.0]heptane-3,7-dicarboxylate
SMILESCOC(=O)C1CC2CC(C(=O)OC)[C@@H]2O1
InChIInChI=1S/C10H14O5/c1-13-9(11)6-3-5-4-7(10(12)14-2)15-8(5)6/h5-8H,3-4H2,1-2H3/t5?,6?,7?,8-/m1/s1
InChIKeyRSRPUNITRGCXLD-ZKBGSAEASA-N
MW214.22 g/mol
LogP0.13
Rot. Bonds2

About dimethyl (1R)-2-oxabicyclo[3.2.0]heptane-3,7-dicarboxylate

dimethyl (1R)-2-oxabicyclo[3.2.0]heptane-3,7-dicarboxylate (PubChem CID 126707145) has the molecular formula C10H14O5 and a molecular weight of 214.22 g/mol. Its IUPAC name is dimethyl (1R)-2-oxabicyclo[3.2.0]heptane-3,7-dicarboxylate.

Molecular Properties

Compound Namedimethyl (1R)-2-oxabicyclo[3.2.0]heptane-3,7-dicarboxylate
PubChem CID126707145
Molecular FormulaC10H14O5
Molecular Weight214.22 g/mol
Exact Mass214.08
IUPAC Namedimethyl (1R)-2-oxabicyclo[3.2.0]heptane-3,7-dicarboxylate
SMILESCOC(=O)C1CC2CC(C(=O)OC)[C@@H]2O1
InChIInChI=1S/C10H14O5/c1-13-9(11)6-3-5-4-7(10(12)14-2)15-8(5)6/h5-8H,3-4H2,1-2H3/t5?,6?,7?,8-/m1/s1
InChIKeyRSRPUNITRGCXLD-ZKBGSAEASA-N
XLogP0.13
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 50.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of dimethyl (1R)-2-oxabicyclo[3.2.0]heptane-3,7-dicarboxylate?
The IUPAC name of dimethyl (1R)-2-oxabicyclo[3.2.0]heptane-3,7-dicarboxylate (CID 126707145) is dimethyl (1R)-2-oxabicyclo[3.2.0]heptane-3,7-dicarboxylate.
What is the SMILES notation for dimethyl (1R)-2-oxabicyclo[3.2.0]heptane-3,7-dicarboxylate?
The canonical SMILES for dimethyl (1R)-2-oxabicyclo[3.2.0]heptane-3,7-dicarboxylate is COC(=O)C1CC2CC(C(=O)OC)[C@@H]2O1.
What is the InChIKey of dimethyl (1R)-2-oxabicyclo[3.2.0]heptane-3,7-dicarboxylate?
The InChIKey is RSRPUNITRGCXLD-ZKBGSAEASA-N. The full InChI is InChI=1S/C10H14O5/c1-13-9(11)6-3-5-4-7(10(12)14-2)15-8(5)6/h5-8H,3-4H2,1-2H3/t5?,6?,7?,8-/m1/s1.
What are the key properties of dimethyl (1R)-2-oxabicyclo[3.2.0]heptane-3,7-dicarboxylate?
dimethyl (1R)-2-oxabicyclo[3.2.0]heptane-3,7-dicarboxylate has a molecular weight of 214.22 g/mol, XLogP of 0.13, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (1R)-2-oxabicyclo[3.2.0]heptane-3,7-dicarboxylate is sourced from PubChem (CID 126707145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).