ethyl 9-methyl-7-oxospiro[4.5]dec-8-ene-10-carboxylate

C14H20O3 — CID 68724534

IUPACethyl 9-methyl-7-oxospiro[4.5]dec-8-ene-10-carboxylate
SMILESCCOC(=O)C1C(C)=CC(=O)CC12CCCC2
InChIInChI=1S/C14H20O3/c1-3-17-13(16)12-10(2)8-11(15)9-14(12)6-4-5-7-14/h8,12H,3-7,9H2,1-2H3
InChIKeyAFJIYYABLRHZBA-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.65
Rot. Bonds2

About ethyl 9-methyl-7-oxospiro[4.5]dec-8-ene-10-carboxylate

ethyl 9-methyl-7-oxospiro[4.5]dec-8-ene-10-carboxylate (PubChem CID 68724534) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is ethyl 9-methyl-7-oxospiro[4.5]dec-8-ene-10-carboxylate.

Molecular Properties

Compound Nameethyl 9-methyl-7-oxospiro[4.5]dec-8-ene-10-carboxylate
PubChem CID68724534
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Nameethyl 9-methyl-7-oxospiro[4.5]dec-8-ene-10-carboxylate
SMILESCCOC(=O)C1C(C)=CC(=O)CC12CCCC2
InChIInChI=1S/C14H20O3/c1-3-17-13(16)12-10(2)8-11(15)9-14(12)6-4-5-7-14/h8,12H,3-7,9H2,1-2H3
InChIKeyAFJIYYABLRHZBA-UHFFFAOYSA-N
XLogP2.65
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 9-methyl-7-oxospiro[4.5]dec-8-ene-10-carboxylate?
The IUPAC name of ethyl 9-methyl-7-oxospiro[4.5]dec-8-ene-10-carboxylate (CID 68724534) is ethyl 9-methyl-7-oxospiro[4.5]dec-8-ene-10-carboxylate.
What is the SMILES notation for ethyl 9-methyl-7-oxospiro[4.5]dec-8-ene-10-carboxylate?
The canonical SMILES for ethyl 9-methyl-7-oxospiro[4.5]dec-8-ene-10-carboxylate is CCOC(=O)C1C(C)=CC(=O)CC12CCCC2.
What is the InChIKey of ethyl 9-methyl-7-oxospiro[4.5]dec-8-ene-10-carboxylate?
The InChIKey is AFJIYYABLRHZBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c1-3-17-13(16)12-10(2)8-11(15)9-14(12)6-4-5-7-14/h8,12H,3-7,9H2,1-2H3.
What are the key properties of ethyl 9-methyl-7-oxospiro[4.5]dec-8-ene-10-carboxylate?
ethyl 9-methyl-7-oxospiro[4.5]dec-8-ene-10-carboxylate has a molecular weight of 236.31 g/mol, XLogP of 2.65, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 9-methyl-7-oxospiro[4.5]dec-8-ene-10-carboxylate is sourced from PubChem (CID 68724534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).