dimethyl bicyclo[2.2.1]heptane-2,7-dicarboxylate

C11H16O4 — CID 13086458

IUPACdimethyl bicyclo[2.2.1]heptane-2,7-dicarboxylate
SMILESCOC(=O)C1CC2CCC1C2C(=O)OC
InChIInChI=1S/C11H16O4/c1-14-10(12)8-5-6-3-4-7(8)9(6)11(13)15-2/h6-9H,3-5H2,1-2H3
InChIKeyVCSUGIHRXFAOIC-UHFFFAOYSA-N
MW212.24 g/mol
LogP0.99
Rot. Bonds2

About dimethyl bicyclo[2.2.1]heptane-2,7-dicarboxylate

dimethyl bicyclo[2.2.1]heptane-2,7-dicarboxylate (PubChem CID 13086458) has the molecular formula C11H16O4 and a molecular weight of 212.24 g/mol. Its IUPAC name is dimethyl bicyclo[2.2.1]heptane-2,7-dicarboxylate.

Molecular Properties

Compound Namedimethyl bicyclo[2.2.1]heptane-2,7-dicarboxylate
PubChem CID13086458
Molecular FormulaC11H16O4
Molecular Weight212.24 g/mol
Exact Mass212.10
IUPAC Namedimethyl bicyclo[2.2.1]heptane-2,7-dicarboxylate
SMILESCOC(=O)C1CC2CCC1C2C(=O)OC
InChIInChI=1S/C11H16O4/c1-14-10(12)8-5-6-3-4-7(8)9(6)11(13)15-2/h6-9H,3-5H2,1-2H3
InChIKeyVCSUGIHRXFAOIC-UHFFFAOYSA-N
XLogP0.99
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze dimethyl bicyclo[2.2.1]heptane-2,7-dicarboxylate with MolForge

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

Launch Full Analysis

Related Compounds

Dimethyl 1,2,2-trimethyl-1,3-cyclopentanedicarboxylate
CID 348846
Methyl 2-norbornanecarboxylate
CID 261531
Bicyclo[2.2.1]heptane-2-carboxylic acid, 3,3-dimethyl-, methyl ester
CID 103659
Ethyl bicyclo(2.2.1)heptane-2-carboxylate
CID 108540
Methyl 2-methylbicyclo[2.2.1]heptane-2-carboxylate
CID 524298
Ethyl bicyclo[2.2.1]hept-2-ylacetate
CID 15312317
Dimethyl 5-oxobicyclo[2.2.1]heptane-2,3-dicarboxylate
CID 274485
Dimethyl bicyclo(2.2.1)heptane-2,3-dicarboxylate
CID 288659
dimethyl (1R,3S)-1,2,2-trimethylcyclopentane-1,3-dicarboxylate
CID 2770979
Ethyl 2,5-endomethylenecyclohexanecarboxylate
CID 21118411
Methyl 5-oxobicyclo(2.2.1)heptane-2-carboxylate
CID 13023914
Tetramethyl octahydropentalene-1,3,4,6-tetracarboxylate
CID 246441

Frequently Asked Questions

What is the IUPAC name of dimethyl bicyclo[2.2.1]heptane-2,7-dicarboxylate?
The IUPAC name of dimethyl bicyclo[2.2.1]heptane-2,7-dicarboxylate (CID 13086458) is dimethyl bicyclo[2.2.1]heptane-2,7-dicarboxylate.
What is the SMILES notation for dimethyl bicyclo[2.2.1]heptane-2,7-dicarboxylate?
The canonical SMILES for dimethyl bicyclo[2.2.1]heptane-2,7-dicarboxylate is COC(=O)C1CC2CCC1C2C(=O)OC.
What is the InChIKey of dimethyl bicyclo[2.2.1]heptane-2,7-dicarboxylate?
The InChIKey is VCSUGIHRXFAOIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O4/c1-14-10(12)8-5-6-3-4-7(8)9(6)11(13)15-2/h6-9H,3-5H2,1-2H3.
What are the key properties of dimethyl bicyclo[2.2.1]heptane-2,7-dicarboxylate?
dimethyl bicyclo[2.2.1]heptane-2,7-dicarboxylate has a molecular weight of 212.24 g/mol, XLogP of 0.99, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl bicyclo[2.2.1]heptane-2,7-dicarboxylate is sourced from PubChem (CID 13086458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).