methyl 2-(2-methoxy-2-oxoethyl)-5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate

C14H22O4 — CID 20603612

IUPACmethyl 2-(2-methoxy-2-oxoethyl)-5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate
SMILESCOC(=O)CC1(C(=O)OC)CC2CC1C(C)C2C
InChIInChI=1S/C14H22O4/c1-8-9(2)11-5-10(8)6-14(11,13(16)18-4)7-12(15)17-3/h8-11H,5-7H2,1-4H3
InChIKeyQAOVLNUQRLLCAW-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.02
Rot. Bonds3

About methyl 2-(2-methoxy-2-oxoethyl)-5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate

methyl 2-(2-methoxy-2-oxoethyl)-5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate (PubChem CID 20603612) has the molecular formula C14H22O4 and a molecular weight of 254.33 g/mol. Its IUPAC name is methyl 2-(2-methoxy-2-oxoethyl)-5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate.

Molecular Properties

Compound Namemethyl 2-(2-methoxy-2-oxoethyl)-5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate
PubChem CID20603612
Molecular FormulaC14H22O4
Molecular Weight254.33 g/mol
Exact Mass254.15
IUPAC Namemethyl 2-(2-methoxy-2-oxoethyl)-5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate
SMILESCOC(=O)CC1(C(=O)OC)CC2CC1C(C)C2C
InChIInChI=1S/C14H22O4/c1-8-9(2)11-5-10(8)6-14(11,13(16)18-4)7-12(15)17-3/h8-11H,5-7H2,1-4H3
InChIKeyQAOVLNUQRLLCAW-UHFFFAOYSA-N
XLogP2.02
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 2-(2-methoxy-2-oxoethyl)-5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate with MolForge

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Related Compounds

Disodium cis-endo-bicyclo(2.2.1)heptane-2,3-dicarboxylate
CID 67061189
Methyl 2-norbornanecarboxylate
CID 261531
Bicyclo[2.2.1]heptane-2-carboxylic acid, 3,3-dimethyl-, methyl ester
CID 103659
Calcium bicyclo(2.2.1)heptane-2,3-dicarboxylate
CID 21981350
Methyl 3,3-dimethylbicyclo[2.2.1]heptane-2-carboxylate
CID 575405
2-Methylbicyclo[2.2.1]heptane-2-carboxylic acid methyl ester
CID 524298
Methyl 6-oxobicyclo(2.2.1)heptane-2-carboxylate
CID 12268689
Ethyl bicyclo[2.2.1]hept-2-ylacetate
CID 15312317
bicyclo2.2.1heptane-2,3-dicarboxylic acid, disodium salt
CID 21981355
Dimethyl 5-oxobicyclo[2.2.1]heptane-2,3-dicarboxylate
CID 274485
Ethyl bicyclo(2.2.1)heptane-2-carboxylate
CID 108540
2-Bornanecarboxylic acid
CID 565594

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-methoxy-2-oxoethyl)-5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate?
The IUPAC name of methyl 2-(2-methoxy-2-oxoethyl)-5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate (CID 20603612) is methyl 2-(2-methoxy-2-oxoethyl)-5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate.
What is the SMILES notation for methyl 2-(2-methoxy-2-oxoethyl)-5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate?
The canonical SMILES for methyl 2-(2-methoxy-2-oxoethyl)-5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate is COC(=O)CC1(C(=O)OC)CC2CC1C(C)C2C.
What is the InChIKey of methyl 2-(2-methoxy-2-oxoethyl)-5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate?
The InChIKey is QAOVLNUQRLLCAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O4/c1-8-9(2)11-5-10(8)6-14(11,13(16)18-4)7-12(15)17-3/h8-11H,5-7H2,1-4H3.
What are the key properties of methyl 2-(2-methoxy-2-oxoethyl)-5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate?
methyl 2-(2-methoxy-2-oxoethyl)-5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate has a molecular weight of 254.33 g/mol, XLogP of 2.02, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-methoxy-2-oxoethyl)-5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate is sourced from PubChem (CID 20603612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).