methyl 10-oxospiro[4.5]decane-3-carboxylate

C12H18O3 — CID 10536429

IUPACmethyl 10-oxospiro[4.5]decane-3-carboxylate
SMILESCOC(=O)C1CCC2(CCCCC2=O)C1
InChIInChI=1S/C12H18O3/c1-15-11(14)9-5-7-12(8-9)6-3-2-4-10(12)13/h9H,2-8H2,1H3
InChIKeyXTMODSSQXYNCER-UHFFFAOYSA-N
MW210.27 g/mol
LogP2.09
Rot. Bonds1

About methyl 10-oxospiro[4.5]decane-3-carboxylate

methyl 10-oxospiro[4.5]decane-3-carboxylate (PubChem CID 10536429) has the molecular formula C12H18O3 and a molecular weight of 210.27 g/mol. Its IUPAC name is methyl 10-oxospiro[4.5]decane-3-carboxylate.

Molecular Properties

Compound Namemethyl 10-oxospiro[4.5]decane-3-carboxylate
PubChem CID10536429
Molecular FormulaC12H18O3
Molecular Weight210.27 g/mol
Exact Mass210.13
IUPAC Namemethyl 10-oxospiro[4.5]decane-3-carboxylate
SMILESCOC(=O)C1CCC2(CCCCC2=O)C1
InChIInChI=1S/C12H18O3/c1-15-11(14)9-5-7-12(8-9)6-3-2-4-10(12)13/h9H,2-8H2,1H3
InChIKeyXTMODSSQXYNCER-UHFFFAOYSA-N
XLogP2.09
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (3R,5R,6R)-6-methyl-10-oxospiro[4.5]decane-3-carboxylate
CID 135041714
methyl 5-oxocyclodecane-1-carboxylate
CID 14288663
spiro[13.14]octacosan-28-one
CID 12738452
methyl 2-oxaspiro[3.4]octane-6-carboxylate
CID 165356428
methyl (8R)-1,4-dithiaspiro[4.4]nonane-8-carboxylate
CID 99996163
methyl (1R)-1-hydroxy-2-oxocyclohexane-1-carboxylate
CID 92978930
methyl 4-oxocycloheptane-1-carboxylate
CID 11116477
methyl (1R,5S,6R)-2,2'-dioxospiro[bicyclo[3.1.0]hexane-6,1'-cyclohexane]-3-carboxylate
CID 102458989
methyl 4-amino-4-methylcyclodecane-1-carboxylate
CID 155033061
dimethyl cycloheptane-1,4-dicarboxylate
CID 139878536
methyl cyclobutanecarboxylate;hydrate
CID 175300594
methyl (3R,5R)-10-hydroxy-6,10-dimethylspiro[4.5]decane-3-carboxylate
CID 102065253

Frequently Asked Questions

What is the IUPAC name of methyl 10-oxospiro[4.5]decane-3-carboxylate?
The IUPAC name of methyl 10-oxospiro[4.5]decane-3-carboxylate (CID 10536429) is methyl 10-oxospiro[4.5]decane-3-carboxylate.
What is the SMILES notation for methyl 10-oxospiro[4.5]decane-3-carboxylate?
The canonical SMILES for methyl 10-oxospiro[4.5]decane-3-carboxylate is COC(=O)C1CCC2(CCCCC2=O)C1.
What is the InChIKey of methyl 10-oxospiro[4.5]decane-3-carboxylate?
The InChIKey is XTMODSSQXYNCER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O3/c1-15-11(14)9-5-7-12(8-9)6-3-2-4-10(12)13/h9H,2-8H2,1H3.
What are the key properties of methyl 10-oxospiro[4.5]decane-3-carboxylate?
methyl 10-oxospiro[4.5]decane-3-carboxylate has a molecular weight of 210.27 g/mol, XLogP of 2.09, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 10-oxospiro[4.5]decane-3-carboxylate is sourced from PubChem (CID 10536429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).