methyl 6-oxospiro[2.5]octane-2-carboxylate

C10H14O3 — CID 118275502

IUPACmethyl 6-oxospiro[2.5]octane-2-carboxylate
SMILESCOC(=O)C1CC12CCC(=O)CC2
InChIInChI=1S/C10H14O3/c1-13-9(12)8-6-10(8)4-2-7(11)3-5-10/h8H,2-6H2,1H3
InChIKeyJKCQCZMYZXVEDY-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.31
Rot. Bonds1

About methyl 6-oxospiro[2.5]octane-2-carboxylate

methyl 6-oxospiro[2.5]octane-2-carboxylate (PubChem CID 118275502) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is methyl 6-oxospiro[2.5]octane-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-oxospiro[2.5]octane-2-carboxylate
PubChem CID118275502
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Namemethyl 6-oxospiro[2.5]octane-2-carboxylate
SMILESCOC(=O)C1CC12CCC(=O)CC2
InChIInChI=1S/C10H14O3/c1-13-9(12)8-6-10(8)4-2-7(11)3-5-10/h8H,2-6H2,1H3
InChIKeyJKCQCZMYZXVEDY-UHFFFAOYSA-N
XLogP1.31
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl 6-oxospiro[2.5]octane-2-carboxylate 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

Methyl 2-(4-oxocyclohexyl)acetate
CID 21249113
Methyl bicyclo[4.1.0]heptane-7-carboxylate
CID 534051
Methyl 2-oxobicyclo[3.1.0]hexane-1-carboxylate
CID 12881134
Cyclohexaneacetic acid, alpha-ethyl-, methyl ester
CID 142101
Methyl 3-(3-oxocyclohexyl)propanoate
CID 538977
Ethyl 6-oxospiro[2.5]octane-5-carboxylate
CID 24209564
Methyl 2,2-dimethyl-4-oxocyclohexane-1-carboxylate
CID 58456348
6-Oxospiro[2.5]octane-1-carboxylic acid
CID 84653004
Methyl 2-oxospiro[3.5]nonane-7-carboxylate
CID 137935544
Methyl 3-cyclohexylbutanoate
CID 12700687
2-Oxobicyclo[4.1.0]heptane-1-acetic Acid Ethyl Ester
CID 14770207
Methyl 3-(1-methylcyclohexyl)propanoate
CID 89503007

Frequently Asked Questions

What is the IUPAC name of methyl 6-oxospiro[2.5]octane-2-carboxylate?
The IUPAC name of methyl 6-oxospiro[2.5]octane-2-carboxylate (CID 118275502) is methyl 6-oxospiro[2.5]octane-2-carboxylate.
What is the SMILES notation for methyl 6-oxospiro[2.5]octane-2-carboxylate?
The canonical SMILES for methyl 6-oxospiro[2.5]octane-2-carboxylate is COC(=O)C1CC12CCC(=O)CC2.
What is the InChIKey of methyl 6-oxospiro[2.5]octane-2-carboxylate?
The InChIKey is JKCQCZMYZXVEDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O3/c1-13-9(12)8-6-10(8)4-2-7(11)3-5-10/h8H,2-6H2,1H3.
What are the key properties of methyl 6-oxospiro[2.5]octane-2-carboxylate?
methyl 6-oxospiro[2.5]octane-2-carboxylate has a molecular weight of 182.22 g/mol, XLogP of 1.31, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-oxospiro[2.5]octane-2-carboxylate is sourced from PubChem (CID 118275502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).