methyl 8-oxo-1,4-dioxaspiro[4.5]decane-7-carboxylate

C10H14O5 — CID 4088708

IUPACmethyl 8-oxo-1,4-dioxaspiro[4.5]decane-7-carboxylate
SMILESCOC(=O)C1CC2(CCC1=O)OCCO2
InChIInChI=1S/C10H14O5/c1-13-9(12)7-6-10(3-2-8(7)11)14-4-5-15-10/h7H,2-6H2,1H3
InChIKeyHDBHPQJOSZBECI-UHFFFAOYSA-N
MW214.22 g/mol
LogP0.27
Rot. Bonds1

About methyl 8-oxo-1,4-dioxaspiro[4.5]decane-7-carboxylate

methyl 8-oxo-1,4-dioxaspiro[4.5]decane-7-carboxylate (PubChem CID 4088708) has the molecular formula C10H14O5 and a molecular weight of 214.22 g/mol. Its IUPAC name is methyl 8-oxo-1,4-dioxaspiro[4.5]decane-7-carboxylate.

Molecular Properties

Compound Namemethyl 8-oxo-1,4-dioxaspiro[4.5]decane-7-carboxylate
PubChem CID4088708
Molecular FormulaC10H14O5
Molecular Weight214.22 g/mol
Exact Mass214.08
IUPAC Namemethyl 8-oxo-1,4-dioxaspiro[4.5]decane-7-carboxylate
SMILESCOC(=O)C1CC2(CCC1=O)OCCO2
InChIInChI=1S/C10H14O5/c1-13-9(12)7-6-10(3-2-8(7)11)14-4-5-15-10/h7H,2-6H2,1H3
InChIKeyHDBHPQJOSZBECI-UHFFFAOYSA-N
XLogP0.27
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 50.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methyl 8-oxo-1,4-dioxaspiro[4.5]decane-7-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 8-oxo-1,4-dioxaspiro[4.5]decane-7-carboxylate?
The IUPAC name of methyl 8-oxo-1,4-dioxaspiro[4.5]decane-7-carboxylate (CID 4088708) is methyl 8-oxo-1,4-dioxaspiro[4.5]decane-7-carboxylate.
What is the SMILES notation for methyl 8-oxo-1,4-dioxaspiro[4.5]decane-7-carboxylate?
The canonical SMILES for methyl 8-oxo-1,4-dioxaspiro[4.5]decane-7-carboxylate is COC(=O)C1CC2(CCC1=O)OCCO2.
What is the InChIKey of methyl 8-oxo-1,4-dioxaspiro[4.5]decane-7-carboxylate?
The InChIKey is HDBHPQJOSZBECI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O5/c1-13-9(12)7-6-10(3-2-8(7)11)14-4-5-15-10/h7H,2-6H2,1H3.
What are the key properties of methyl 8-oxo-1,4-dioxaspiro[4.5]decane-7-carboxylate?
methyl 8-oxo-1,4-dioxaspiro[4.5]decane-7-carboxylate has a molecular weight of 214.22 g/mol, XLogP of 0.27, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 8-oxo-1,4-dioxaspiro[4.5]decane-7-carboxylate is sourced from PubChem (CID 4088708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).