methyl (6R)-8-oxotricyclo[4.3.0.02,9]nonane-9-carboxylate

C11H14O3 — CID 102192950

IUPACmethyl (6R)-8-oxotricyclo[4.3.0.02,9]nonane-9-carboxylate
SMILESCOC(=O)C12C(=O)CC3CCCC1C32
InChIInChI=1S/C11H14O3/c1-14-10(13)11-7-4-2-3-6(9(7)11)5-8(11)12/h6-7,9H,2-5H2,1H3
InChIKeyMKNJTFHDCXTFGZ-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.16
Rot. Bonds1

About methyl (6R)-8-oxotricyclo[4.3.0.02,9]nonane-9-carboxylate

methyl (6R)-8-oxotricyclo[4.3.0.02,9]nonane-9-carboxylate (PubChem CID 102192950) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is methyl (6R)-8-oxotricyclo[4.3.0.02,9]nonane-9-carboxylate.

Molecular Properties

Compound Namemethyl (6R)-8-oxotricyclo[4.3.0.02,9]nonane-9-carboxylate
PubChem CID102192950
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Namemethyl (6R)-8-oxotricyclo[4.3.0.02,9]nonane-9-carboxylate
SMILESCOC(=O)C12C(=O)CC3CCCC1C32
InChIInChI=1S/C11H14O3/c1-14-10(13)11-7-4-2-3-6(9(7)11)5-8(11)12/h6-7,9H,2-5H2,1H3
InChIKeyMKNJTFHDCXTFGZ-UHFFFAOYSA-N
XLogP1.16
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

methyl (1S,4aS,8aR)-1-methyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydronaphthalene-1-carboxylate
CID 134975616
methyl 1-amino-3-cyclobutylcyclobutane-1-carboxylate;hydrochloride
CID 138991482
methyl 7-phenylbicyclo[4.1.0]heptane-7-carboxylate
CID 22084933
dimethyl bicyclo[5.1.0]octane-8,8-dicarboxylate
CID 14547848
dimethyl (3aS,6aR,9aS,9bR)-2-oxo-3,3a,4,5,6,6a,7,8,9a,9b-decahydroazuleno[8,7-b]furan-9,9-dicarboxylate
CID 101373754
tetramethyl tetracyclo[6.4.0.04,12.05,9]dodec-10-ene-9,10,11,12-tetracarboxylate
CID 14786939
methyl 2-amino-1,3,3a,4,5,6,7,7a-octahydroindene-2-carboxylate
CID 67076753
dimethyl (1R,7S,11R)-tricyclo[5.3.1.04,11]undec-4-ene-2,2-dicarboxylate
CID 101079028
dimethyl (1R,7R,11S)-tricyclo[5.3.1.04,11]undec-4-ene-2,2-dicarboxylate
CID 101079031
dimethyl (1S,7S,11R)-5-methylsulfanyltricyclo[5.3.1.04,11]undec-4-ene-2,2-dicarboxylate
CID 101079034
methyl (3S,3aS,9aS)-3-hydroxy-2-oxo-3a,4,5,6,7,8,9,9a-octahydrocycloocta[b]furan-3-carboxylate
CID 101008088
methyl 2'-methylspiro[bicyclo[4.2.0]octane-7,3'-oxirane]-2'-carboxylate
CID 165444299

Frequently Asked Questions

What is the IUPAC name of methyl (6R)-8-oxotricyclo[4.3.0.02,9]nonane-9-carboxylate?
The IUPAC name of methyl (6R)-8-oxotricyclo[4.3.0.02,9]nonane-9-carboxylate (CID 102192950) is methyl (6R)-8-oxotricyclo[4.3.0.02,9]nonane-9-carboxylate.
What is the SMILES notation for methyl (6R)-8-oxotricyclo[4.3.0.02,9]nonane-9-carboxylate?
The canonical SMILES for methyl (6R)-8-oxotricyclo[4.3.0.02,9]nonane-9-carboxylate is COC(=O)C12C(=O)CC3CCCC1C32.
What is the InChIKey of methyl (6R)-8-oxotricyclo[4.3.0.02,9]nonane-9-carboxylate?
The InChIKey is MKNJTFHDCXTFGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3/c1-14-10(13)11-7-4-2-3-6(9(7)11)5-8(11)12/h6-7,9H,2-5H2,1H3.
What are the key properties of methyl (6R)-8-oxotricyclo[4.3.0.02,9]nonane-9-carboxylate?
methyl (6R)-8-oxotricyclo[4.3.0.02,9]nonane-9-carboxylate has a molecular weight of 194.23 g/mol, XLogP of 1.16, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (6R)-8-oxotricyclo[4.3.0.02,9]nonane-9-carboxylate is sourced from PubChem (CID 102192950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).