6-O-ethyl 3-O-methyl (1R,5R,6R)-2-oxabicyclo[3.1.0]hex-3-ene-3,6-dicarboxylate

C10H12O5 — CID 102382385

IUPAC6-O-ethyl 3-O-methyl (1R,5R,6R)-2-oxabicyclo[3.1.0]hex-3-ene-3,6-dicarboxylate
SMILESCCOC(=O)[C@@H]1[C@H]2C=C(C(=O)OC)O[C@H]21
InChIInChI=1S/C10H12O5/c1-3-14-10(12)7-5-4-6(9(11)13-2)15-8(5)7/h4-5,7-8H,3H2,1-2H3/t5-,7-,8-/m1/s1
InChIKeyRZWKTOFPJZAYJO-LPBLVHEISA-N
MW212.20 g/mol
LogP0.25
Rot. Bonds3

About 6-O-ethyl 3-O-methyl (1R,5R,6R)-2-oxabicyclo[3.1.0]hex-3-ene-3,6-dicarboxylate

6-O-ethyl 3-O-methyl (1R,5R,6R)-2-oxabicyclo[3.1.0]hex-3-ene-3,6-dicarboxylate (PubChem CID 102382385) has the molecular formula C10H12O5 and a molecular weight of 212.20 g/mol. Its IUPAC name is 6-O-ethyl 3-O-methyl (1R,5R,6R)-2-oxabicyclo[3.1.0]hex-3-ene-3,6-dicarboxylate.

Molecular Properties

Compound Name6-O-ethyl 3-O-methyl (1R,5R,6R)-2-oxabicyclo[3.1.0]hex-3-ene-3,6-dicarboxylate
PubChem CID102382385
Molecular FormulaC10H12O5
Molecular Weight212.20 g/mol
Exact Mass212.07
IUPAC Name6-O-ethyl 3-O-methyl (1R,5R,6R)-2-oxabicyclo[3.1.0]hex-3-ene-3,6-dicarboxylate
SMILESCCOC(=O)[C@@H]1[C@H]2C=C(C(=O)OC)O[C@H]21
InChIInChI=1S/C10H12O5/c1-3-14-10(12)7-5-4-6(9(11)13-2)15-8(5)7/h4-5,7-8H,3H2,1-2H3/t5-,7-,8-/m1/s1
InChIKeyRZWKTOFPJZAYJO-LPBLVHEISA-N
XLogP0.25
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 50.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-O-ethyl 3-O-methyl (1R,5R,6R)-2-oxabicyclo[3.1.0]hex-3-ene-3,6-dicarboxylate with MolForge

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Related Compounds

Rzwktofpjzayjo-gevipfjhsa-
CID 10774880
6-Acetyl-3-ethoxycarbonyl-2-oxabicyclo[3.1.0]hex-3-ene
CID 14243124
Vlgkziawrpxqer-qtsittdlsa-
CID 10535942
6-O-ethyl 3-O-methyl (1R,5S,6S)-4-bromo-2-oxabicyclo[3.1.0]hex-3-ene-3,6-dicarboxylate
CID 101378288
ethyl (1R,5R,6R)-6-acetyl-2-oxabicyclo[3.1.0]hex-3-ene-3-carboxylate
CID 14243125
(1alpha,5alpha,6alpha)-2-Oxabicyclo[3.1.0]hex-3-ene-3,6-dicarboxylic acid 3-ethyl 6-methyl ester
CID 14243127
dimethyl (3aS,4S,7aS)-2,2-dimethyl-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran-4,6-dicarboxylate
CID 21578276
dimethyl (2R,3R,4S)-3,4-diacetyloxy-3,4-dihydro-2H-pyran-2,6-dicarboxylate
CID 21578278
dimethyl (2S,3R,4S)-3,4-diacetyloxy-3,4-dihydro-2H-pyran-2,6-dicarboxylate
CID 102355124
dimethyl (2S,3S,4S)-3,4-diacetyloxy-3,4-dihydro-2H-pyran-2,6-dicarboxylate
CID 102355125
dimethyl (2S,3R,4R)-3,4-diacetyloxy-3,4-dihydro-2H-pyran-2,6-dicarboxylate
CID 102355126

Frequently Asked Questions

What is the IUPAC name of 6-O-ethyl 3-O-methyl (1R,5R,6R)-2-oxabicyclo[3.1.0]hex-3-ene-3,6-dicarboxylate?
The IUPAC name of 6-O-ethyl 3-O-methyl (1R,5R,6R)-2-oxabicyclo[3.1.0]hex-3-ene-3,6-dicarboxylate (CID 102382385) is 6-O-ethyl 3-O-methyl (1R,5R,6R)-2-oxabicyclo[3.1.0]hex-3-ene-3,6-dicarboxylate.
What is the SMILES notation for 6-O-ethyl 3-O-methyl (1R,5R,6R)-2-oxabicyclo[3.1.0]hex-3-ene-3,6-dicarboxylate?
The canonical SMILES for 6-O-ethyl 3-O-methyl (1R,5R,6R)-2-oxabicyclo[3.1.0]hex-3-ene-3,6-dicarboxylate is CCOC(=O)[C@@H]1[C@H]2C=C(C(=O)OC)O[C@H]21.
What is the InChIKey of 6-O-ethyl 3-O-methyl (1R,5R,6R)-2-oxabicyclo[3.1.0]hex-3-ene-3,6-dicarboxylate?
The InChIKey is RZWKTOFPJZAYJO-LPBLVHEISA-N. The full InChI is InChI=1S/C10H12O5/c1-3-14-10(12)7-5-4-6(9(11)13-2)15-8(5)7/h4-5,7-8H,3H2,1-2H3/t5-,7-,8-/m1/s1.
What are the key properties of 6-O-ethyl 3-O-methyl (1R,5R,6R)-2-oxabicyclo[3.1.0]hex-3-ene-3,6-dicarboxylate?
6-O-ethyl 3-O-methyl (1R,5R,6R)-2-oxabicyclo[3.1.0]hex-3-ene-3,6-dicarboxylate has a molecular weight of 212.20 g/mol, XLogP of 0.25, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-O-ethyl 3-O-methyl (1R,5R,6R)-2-oxabicyclo[3.1.0]hex-3-ene-3,6-dicarboxylate is sourced from PubChem (CID 102382385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).