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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Related Compounds

tert-butyl (4R,5S)-4-methyl-3-oxo-5-propan-2-yloxolane-2-carboxylate
CID 156750169
2-methylpropyl (4R,5S)-4-methyl-3-oxo-5-propan-2-yloxolane-2-carboxylate
CID 166160875
Tert-butyl 4-methyl-3-oxo-5-propan-2-yloxolane-2-carboxylate
CID 175542327
tert-butyl (2S)-4-methyl-3-oxo-5-propan-2-yloxolane-2-carboxylate
CID 175542328
Ethyl 7-oxo-5-oxaspiro[3.4]octane-6-carboxylate
CID 176341110
methyl (1R,2R,6S)-2,6-dimethyl-4-oxo-3,9-dioxabicyclo[4.2.1]nonane-2-carboxylate
CID 10466310
dimethyl (1S,5R)-6-oxo-2-oxabicyclo[3.2.0]heptane-1,7-dicarboxylate
CID 10704525
(1R,6S,8R)-1,6,8-trimethyl-3,9-dioxabicyclo[4.2.1]nonane-2,4-dione
CID 11041719
methyl (1S,2R,5R)-1-ethoxy-3-oxabicyclo[3.2.0]heptane-2-carboxylate
CID 11344672
ethyl (2S,3S,5R)-5-(2-ethoxy-2-oxoethyl)-2,3,5-trimethyloxolane-2-carboxylate
CID 11425756
methyl (2R,5S)-5-[(2R)-1-methoxy-1-oxopropan-2-yl]oxolane-2-carboxylate
CID 11458581
(5-Acetyl-1-methyl-4-oxo-3,8-dioxabicyclo[3.2.1]octan-6-yl) acetate
CID 14951859

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).