methyl 2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxylate

C11H14O4 — CID 46192660

IUPACmethyl 2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxylate
SMILESCOC(=O)C1=CC(=O)OC12CCCCC2
InChIInChI=1S/C11H14O4/c1-14-10(13)8-7-9(12)15-11(8)5-3-2-4-6-11/h7H,2-6H2,1H3
InChIKeyRWSSHIQXVAAUAD-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.35
Rot. Bonds1

About methyl 2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxylate

methyl 2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxylate (PubChem CID 46192660) has the molecular formula C11H14O4 and a molecular weight of 210.23 g/mol. Its IUPAC name is methyl 2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxylate
PubChem CID46192660
Molecular FormulaC11H14O4
Molecular Weight210.23 g/mol
Exact Mass210.09
IUPAC Namemethyl 2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxylate
SMILESCOC(=O)C1=CC(=O)OC12CCCCC2
InChIInChI=1S/C11H14O4/c1-14-10(13)8-7-9(12)15-11(8)5-3-2-4-6-11/h7H,2-6H2,1H3
InChIKeyRWSSHIQXVAAUAD-UHFFFAOYSA-N
XLogP1.35
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxylate?
The IUPAC name of methyl 2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxylate (CID 46192660) is methyl 2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxylate.
What is the SMILES notation for methyl 2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxylate?
The canonical SMILES for methyl 2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxylate is COC(=O)C1=CC(=O)OC12CCCCC2.
What is the InChIKey of methyl 2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxylate?
The InChIKey is RWSSHIQXVAAUAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O4/c1-14-10(13)8-7-9(12)15-11(8)5-3-2-4-6-11/h7H,2-6H2,1H3.
What are the key properties of methyl 2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxylate?
methyl 2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxylate has a molecular weight of 210.23 g/mol, XLogP of 1.35, 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]dec-3-ene-4-carboxylate is sourced from PubChem (CID 46192660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).