ethyl 2-oxo-1-oxaspiro[4.5]decane-4-carboxylate

C12H18O4 — CID 2836714

IUPACethyl 2-oxo-1-oxaspiro[4.5]decane-4-carboxylate
SMILESCCOC(=O)C1CC(=O)OC12CCCCC2
InChIInChI=1S/C12H18O4/c1-2-15-11(14)9-8-10(13)16-12(9)6-4-3-5-7-12/h9H,2-8H2,1H3
InChIKeyPPDHIIWHJRYQFJ-UHFFFAOYSA-N
MW226.27 g/mol
LogP1.82
Rot. Bonds2

About ethyl 2-oxo-1-oxaspiro[4.5]decane-4-carboxylate

ethyl 2-oxo-1-oxaspiro[4.5]decane-4-carboxylate (PubChem CID 2836714) has the molecular formula C12H18O4 and a molecular weight of 226.27 g/mol. Its IUPAC name is ethyl 2-oxo-1-oxaspiro[4.5]decane-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-oxo-1-oxaspiro[4.5]decane-4-carboxylate
PubChem CID2836714
Molecular FormulaC12H18O4
Molecular Weight226.27 g/mol
Exact Mass226.12
IUPAC Nameethyl 2-oxo-1-oxaspiro[4.5]decane-4-carboxylate
SMILESCCOC(=O)C1CC(=O)OC12CCCCC2
InChIInChI=1S/C12H18O4/c1-2-15-11(14)9-8-10(13)16-12(9)6-4-3-5-7-12/h9H,2-8H2,1H3
InChIKeyPPDHIIWHJRYQFJ-UHFFFAOYSA-N
XLogP1.82
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.27
LogP ≤ 51.82
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[4.5]decane-4-carboxylate?
The IUPAC name of ethyl 2-oxo-1-oxaspiro[4.5]decane-4-carboxylate (CID 2836714) is ethyl 2-oxo-1-oxaspiro[4.5]decane-4-carboxylate.
What is the SMILES notation for ethyl 2-oxo-1-oxaspiro[4.5]decane-4-carboxylate?
The canonical SMILES for ethyl 2-oxo-1-oxaspiro[4.5]decane-4-carboxylate is CCOC(=O)C1CC(=O)OC12CCCCC2.
What is the InChIKey of ethyl 2-oxo-1-oxaspiro[4.5]decane-4-carboxylate?
The InChIKey is PPDHIIWHJRYQFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O4/c1-2-15-11(14)9-8-10(13)16-12(9)6-4-3-5-7-12/h9H,2-8H2,1H3.
What are the key properties of ethyl 2-oxo-1-oxaspiro[4.5]decane-4-carboxylate?
ethyl 2-oxo-1-oxaspiro[4.5]decane-4-carboxylate has a molecular weight of 226.27 g/mol, XLogP of 1.82, 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[4.5]decane-4-carboxylate is sourced from PubChem (CID 2836714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).