ethyl 2-oxo-1-oxaspiro[4.4]nonane-9-carboxylate

C11H16O4 — CID 163766524

IUPACethyl 2-oxo-1-oxaspiro[4.4]nonane-9-carboxylate
SMILESCCOC(=O)C1CCCC12CCC(=O)O2
InChIInChI=1S/C11H16O4/c1-2-14-10(13)8-4-3-6-11(8)7-5-9(12)15-11/h8H,2-7H2,1H3
InChIKeyMCTJPIRTJZYZGZ-UHFFFAOYSA-N
MW212.24 g/mol
LogP1.43
Rot. Bonds2

About ethyl 2-oxo-1-oxaspiro[4.4]nonane-9-carboxylate

ethyl 2-oxo-1-oxaspiro[4.4]nonane-9-carboxylate (PubChem CID 163766524) has the molecular formula C11H16O4 and a molecular weight of 212.24 g/mol. Its IUPAC name is ethyl 2-oxo-1-oxaspiro[4.4]nonane-9-carboxylate.

Molecular Properties

Compound Nameethyl 2-oxo-1-oxaspiro[4.4]nonane-9-carboxylate
PubChem CID163766524
Molecular FormulaC11H16O4
Molecular Weight212.24 g/mol
Exact Mass212.10
IUPAC Nameethyl 2-oxo-1-oxaspiro[4.4]nonane-9-carboxylate
SMILESCCOC(=O)C1CCCC12CCC(=O)O2
InChIInChI=1S/C11H16O4/c1-2-14-10(13)8-4-3-6-11(8)7-5-9(12)15-11/h8H,2-7H2,1H3
InChIKeyMCTJPIRTJZYZGZ-UHFFFAOYSA-N
XLogP1.43
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-oxo-1-oxaspiro[4.4]nonane-9-carboxylate?
The IUPAC name of ethyl 2-oxo-1-oxaspiro[4.4]nonane-9-carboxylate (CID 163766524) is ethyl 2-oxo-1-oxaspiro[4.4]nonane-9-carboxylate.
What is the SMILES notation for ethyl 2-oxo-1-oxaspiro[4.4]nonane-9-carboxylate?
The canonical SMILES for ethyl 2-oxo-1-oxaspiro[4.4]nonane-9-carboxylate is CCOC(=O)C1CCCC12CCC(=O)O2.
What is the InChIKey of ethyl 2-oxo-1-oxaspiro[4.4]nonane-9-carboxylate?
The InChIKey is MCTJPIRTJZYZGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O4/c1-2-14-10(13)8-4-3-6-11(8)7-5-9(12)15-11/h8H,2-7H2,1H3.
What are the key properties of ethyl 2-oxo-1-oxaspiro[4.4]nonane-9-carboxylate?
ethyl 2-oxo-1-oxaspiro[4.4]nonane-9-carboxylate has a molecular weight of 212.24 g/mol, XLogP of 1.43, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-oxo-1-oxaspiro[4.4]nonane-9-carboxylate is sourced from PubChem (CID 163766524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).