dimethyl (1R,4S)-7-oxabicyclo[2.2.1]hept-2-ene-2,3-dicarboxylate

C10H12O5 — CID 92527050

IUPACdimethyl (1R,4S)-7-oxabicyclo[2.2.1]hept-2-ene-2,3-dicarboxylate
SMILESCOC(=O)C1=C(C(=O)OC)[C@H]2CC[C@@H]1O2
InChIInChI=1S/C10H12O5/c1-13-9(11)7-5-3-4-6(15-5)8(7)10(12)14-2/h5-6H,3-4H2,1-2H3/t5-,6+
InChIKeyPRHAGQCZGSQKHR-OLQVQODUSA-N
MW212.20 g/mol
LogP0.19
Rot. Bonds2

About dimethyl (1R,4S)-7-oxabicyclo[2.2.1]hept-2-ene-2,3-dicarboxylate

dimethyl (1R,4S)-7-oxabicyclo[2.2.1]hept-2-ene-2,3-dicarboxylate (PubChem CID 92527050) has the molecular formula C10H12O5 and a molecular weight of 212.20 g/mol. Its IUPAC name is dimethyl (1R,4S)-7-oxabicyclo[2.2.1]hept-2-ene-2,3-dicarboxylate.

Molecular Properties

Compound Namedimethyl (1R,4S)-7-oxabicyclo[2.2.1]hept-2-ene-2,3-dicarboxylate
PubChem CID92527050
Molecular FormulaC10H12O5
Molecular Weight212.20 g/mol
Exact Mass212.07
IUPAC Namedimethyl (1R,4S)-7-oxabicyclo[2.2.1]hept-2-ene-2,3-dicarboxylate
SMILESCOC(=O)C1=C(C(=O)OC)[C@H]2CC[C@@H]1O2
InChIInChI=1S/C10H12O5/c1-13-9(11)7-5-3-4-6(15-5)8(7)10(12)14-2/h5-6H,3-4H2,1-2H3/t5-,6+
InChIKeyPRHAGQCZGSQKHR-OLQVQODUSA-N
XLogP0.19
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 50.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze dimethyl (1R,4S)-7-oxabicyclo[2.2.1]hept-2-ene-2,3-dicarboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of dimethyl (1R,4S)-7-oxabicyclo[2.2.1]hept-2-ene-2,3-dicarboxylate?
The IUPAC name of dimethyl (1R,4S)-7-oxabicyclo[2.2.1]hept-2-ene-2,3-dicarboxylate (CID 92527050) is dimethyl (1R,4S)-7-oxabicyclo[2.2.1]hept-2-ene-2,3-dicarboxylate.
What is the SMILES notation for dimethyl (1R,4S)-7-oxabicyclo[2.2.1]hept-2-ene-2,3-dicarboxylate?
The canonical SMILES for dimethyl (1R,4S)-7-oxabicyclo[2.2.1]hept-2-ene-2,3-dicarboxylate is COC(=O)C1=C(C(=O)OC)[C@H]2CC[C@@H]1O2.
What is the InChIKey of dimethyl (1R,4S)-7-oxabicyclo[2.2.1]hept-2-ene-2,3-dicarboxylate?
The InChIKey is PRHAGQCZGSQKHR-OLQVQODUSA-N. The full InChI is InChI=1S/C10H12O5/c1-13-9(11)7-5-3-4-6(15-5)8(7)10(12)14-2/h5-6H,3-4H2,1-2H3/t5-,6+.
What are the key properties of dimethyl (1R,4S)-7-oxabicyclo[2.2.1]hept-2-ene-2,3-dicarboxylate?
dimethyl (1R,4S)-7-oxabicyclo[2.2.1]hept-2-ene-2,3-dicarboxylate has a molecular weight of 212.20 g/mol, XLogP of 0.19, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (1R,4S)-7-oxabicyclo[2.2.1]hept-2-ene-2,3-dicarboxylate is sourced from PubChem (CID 92527050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).