methyl 2,4-dimethyltricyclo[3.2.2.02,4]nonane-6-carboxylate

C13H20O2 — CID 130331695

IUPACmethyl 2,4-dimethyltricyclo[3.2.2.02,4]nonane-6-carboxylate
SMILESCOC(=O)C1CC2CCC1C1(C)CC21C
InChIInChI=1S/C13H20O2/c1-12-7-13(12,2)10-5-4-8(12)6-9(10)11(14)15-3/h8-10H,4-7H2,1-3H3
InChIKeyZLKZMIJSIOGEDD-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.62
Rot. Bonds1

About methyl 2,4-dimethyltricyclo[3.2.2.02,4]nonane-6-carboxylate

methyl 2,4-dimethyltricyclo[3.2.2.02,4]nonane-6-carboxylate (PubChem CID 130331695) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is methyl 2,4-dimethyltricyclo[3.2.2.02,4]nonane-6-carboxylate.

Molecular Properties

Compound Namemethyl 2,4-dimethyltricyclo[3.2.2.02,4]nonane-6-carboxylate
PubChem CID130331695
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Namemethyl 2,4-dimethyltricyclo[3.2.2.02,4]nonane-6-carboxylate
SMILESCOC(=O)C1CC2CCC1C1(C)CC21C
InChIInChI=1S/C13H20O2/c1-12-7-13(12,2)10-5-4-8(12)6-9(10)11(14)15-3/h8-10H,4-7H2,1-3H3
InChIKeyZLKZMIJSIOGEDD-UHFFFAOYSA-N
XLogP2.62
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze methyl 2,4-dimethyltricyclo[3.2.2.02,4]nonane-6-carboxylate with MolForge

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Related Compounds

methyl 8,8-dimethoxybicyclo[3.2.1]octane-6-carboxylate
CID 102415899
dimethyl cyclopropane-1,2-dicarboxylate
CID 2724542
tetramethyl (1S,2R,4S,5R)-cyclohexane-1,2,4,5-tetracarboxylate
CID 102016488
dimethyl (1R,2S,5S)-bicyclo[2.2.1]heptane-2,5-dicarboxylate
CID 174166263
methyl 2-carbonochloridoylcyclobutane-1-carboxylate
CID 12809237
trans-dimethyl (1R,2R)-4-(hydroxymethyl)cyclopentane-1,2-dicarboxylate
CID 10330914
trimethyl (1R,2R,4R)-cyclohexane-1,2,4-tricarboxylate
CID 12616208
methyl (1S,3aS,4R,7aS)-1-hydroxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroindene-4-carboxylate
CID 118606151
dimethyl 4,5-dimethylcyclohex-4-ene-1,2-dicarboxylate
CID 3271327
methyl (2S)-2-carbonochloridoylcyclopropane-1-carboxylate
CID 140893068
cis-dimethyl (1R,2S)-4-methoxycyclopentane-1,2-dicarboxylate
CID 14489527
hexamethyl (2S,3R,6R,7S,10S,11R)-1,2,3,4,5,6,7,8,9,10,11,12-dodecahydrotriphenylene-2,3,6,7,10,11-hexacarboxylate
CID 7163303

Frequently Asked Questions

What is the IUPAC name of methyl 2,4-dimethyltricyclo[3.2.2.02,4]nonane-6-carboxylate?
The IUPAC name of methyl 2,4-dimethyltricyclo[3.2.2.02,4]nonane-6-carboxylate (CID 130331695) is methyl 2,4-dimethyltricyclo[3.2.2.02,4]nonane-6-carboxylate.
What is the SMILES notation for methyl 2,4-dimethyltricyclo[3.2.2.02,4]nonane-6-carboxylate?
The canonical SMILES for methyl 2,4-dimethyltricyclo[3.2.2.02,4]nonane-6-carboxylate is COC(=O)C1CC2CCC1C1(C)CC21C.
What is the InChIKey of methyl 2,4-dimethyltricyclo[3.2.2.02,4]nonane-6-carboxylate?
The InChIKey is ZLKZMIJSIOGEDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c1-12-7-13(12,2)10-5-4-8(12)6-9(10)11(14)15-3/h8-10H,4-7H2,1-3H3.
What are the key properties of methyl 2,4-dimethyltricyclo[3.2.2.02,4]nonane-6-carboxylate?
methyl 2,4-dimethyltricyclo[3.2.2.02,4]nonane-6-carboxylate has a molecular weight of 208.30 g/mol, XLogP of 2.62, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,4-dimethyltricyclo[3.2.2.02,4]nonane-6-carboxylate is sourced from PubChem (CID 130331695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).