methyl 2-oxo-1-oxaspiro[4.5]deca-3,8-diene-6-carboxylate

C11H12O4 — CID 15721054

IUPACmethyl 2-oxo-1-oxaspiro[4.5]deca-3,8-diene-6-carboxylate
SMILESCOC(=O)C1CC=CCC12C=CC(=O)O2
InChIInChI=1S/C11H12O4/c1-14-10(13)8-4-2-3-6-11(8)7-5-9(12)15-11/h2-3,5,7-8H,4,6H2,1H3
InChIKeyKDSOGAQMSKWLFT-UHFFFAOYSA-N
MW208.21 g/mol
LogP0.98
Rot. Bonds1

About methyl 2-oxo-1-oxaspiro[4.5]deca-3,8-diene-6-carboxylate

methyl 2-oxo-1-oxaspiro[4.5]deca-3,8-diene-6-carboxylate (PubChem CID 15721054) has the molecular formula C11H12O4 and a molecular weight of 208.21 g/mol. Its IUPAC name is methyl 2-oxo-1-oxaspiro[4.5]deca-3,8-diene-6-carboxylate.

Molecular Properties

Compound Namemethyl 2-oxo-1-oxaspiro[4.5]deca-3,8-diene-6-carboxylate
PubChem CID15721054
Molecular FormulaC11H12O4
Molecular Weight208.21 g/mol
Exact Mass208.07
IUPAC Namemethyl 2-oxo-1-oxaspiro[4.5]deca-3,8-diene-6-carboxylate
SMILESCOC(=O)C1CC=CCC12C=CC(=O)O2
InChIInChI=1S/C11H12O4/c1-14-10(13)8-4-2-3-6-11(8)7-5-9(12)15-11/h2-3,5,7-8H,4,6H2,1H3
InChIKeyKDSOGAQMSKWLFT-UHFFFAOYSA-N
XLogP0.98
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.21
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-oxo-1-oxaspiro[4.5]deca-3,8-diene-6-carboxylate?
The IUPAC name of methyl 2-oxo-1-oxaspiro[4.5]deca-3,8-diene-6-carboxylate (CID 15721054) is methyl 2-oxo-1-oxaspiro[4.5]deca-3,8-diene-6-carboxylate.
What is the SMILES notation for methyl 2-oxo-1-oxaspiro[4.5]deca-3,8-diene-6-carboxylate?
The canonical SMILES for methyl 2-oxo-1-oxaspiro[4.5]deca-3,8-diene-6-carboxylate is COC(=O)C1CC=CCC12C=CC(=O)O2.
What is the InChIKey of methyl 2-oxo-1-oxaspiro[4.5]deca-3,8-diene-6-carboxylate?
The InChIKey is KDSOGAQMSKWLFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O4/c1-14-10(13)8-4-2-3-6-11(8)7-5-9(12)15-11/h2-3,5,7-8H,4,6H2,1H3.
What are the key properties of methyl 2-oxo-1-oxaspiro[4.5]deca-3,8-diene-6-carboxylate?
methyl 2-oxo-1-oxaspiro[4.5]deca-3,8-diene-6-carboxylate has a molecular weight of 208.21 g/mol, XLogP of 0.98, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-oxo-1-oxaspiro[4.5]deca-3,8-diene-6-carboxylate is sourced from PubChem (CID 15721054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).