dimethyl 5,6-dihydroxybicyclo[2.2.1]heptane-2,3-dicarboxylate

C11H16O6 — CID 134861584

IUPACdimethyl 5,6-dihydroxybicyclo[2.2.1]heptane-2,3-dicarboxylate
SMILESCOC(=O)C1C2CC(C(O)C2O)C1C(=O)OC
InChIInChI=1S/C11H16O6/c1-16-10(14)6-4-3-5(9(13)8(4)12)7(6)11(15)17-2/h4-9,12-13H,3H2,1-2H3
InChIKeyJQLPVDLOAMQJCJ-UHFFFAOYSA-N
MW244.24 g/mol
LogP-1.06
Rot. Bonds2

About dimethyl 5,6-dihydroxybicyclo[2.2.1]heptane-2,3-dicarboxylate

dimethyl 5,6-dihydroxybicyclo[2.2.1]heptane-2,3-dicarboxylate (PubChem CID 134861584) has the molecular formula C11H16O6 and a molecular weight of 244.24 g/mol. Its IUPAC name is dimethyl 5,6-dihydroxybicyclo[2.2.1]heptane-2,3-dicarboxylate.

Molecular Properties

Compound Namedimethyl 5,6-dihydroxybicyclo[2.2.1]heptane-2,3-dicarboxylate
PubChem CID134861584
Molecular FormulaC11H16O6
Molecular Weight244.24 g/mol
Exact Mass244.09
IUPAC Namedimethyl 5,6-dihydroxybicyclo[2.2.1]heptane-2,3-dicarboxylate
SMILESCOC(=O)C1C2CC(C(O)C2O)C1C(=O)OC
InChIInChI=1S/C11H16O6/c1-16-10(14)6-4-3-5(9(13)8(4)12)7(6)11(15)17-2/h4-9,12-13H,3H2,1-2H3
InChIKeyJQLPVDLOAMQJCJ-UHFFFAOYSA-N
XLogP-1.06
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.24
LogP ≤ 5-1.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of dimethyl 5,6-dihydroxybicyclo[2.2.1]heptane-2,3-dicarboxylate?
The IUPAC name of dimethyl 5,6-dihydroxybicyclo[2.2.1]heptane-2,3-dicarboxylate (CID 134861584) is dimethyl 5,6-dihydroxybicyclo[2.2.1]heptane-2,3-dicarboxylate.
What is the SMILES notation for dimethyl 5,6-dihydroxybicyclo[2.2.1]heptane-2,3-dicarboxylate?
The canonical SMILES for dimethyl 5,6-dihydroxybicyclo[2.2.1]heptane-2,3-dicarboxylate is COC(=O)C1C2CC(C(O)C2O)C1C(=O)OC.
What is the InChIKey of dimethyl 5,6-dihydroxybicyclo[2.2.1]heptane-2,3-dicarboxylate?
The InChIKey is JQLPVDLOAMQJCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O6/c1-16-10(14)6-4-3-5(9(13)8(4)12)7(6)11(15)17-2/h4-9,12-13H,3H2,1-2H3.
What are the key properties of dimethyl 5,6-dihydroxybicyclo[2.2.1]heptane-2,3-dicarboxylate?
dimethyl 5,6-dihydroxybicyclo[2.2.1]heptane-2,3-dicarboxylate has a molecular weight of 244.24 g/mol, XLogP of -1.06, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 5,6-dihydroxybicyclo[2.2.1]heptane-2,3-dicarboxylate is sourced from PubChem (CID 134861584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).