ethyl 2-ethyl-5-methyl-1-oxaspiro[2.4]heptane-2-carboxylate

C12H20O3 — CID 79298034

IUPACethyl 2-ethyl-5-methyl-1-oxaspiro[2.4]heptane-2-carboxylate
SMILESCCOC(=O)C1(CC)OC12CCC(C)C2
InChIInChI=1S/C12H20O3/c1-4-12(10(13)14-5-2)11(15-12)7-6-9(3)8-11/h9H,4-8H2,1-3H3
InChIKeyMOMXZDBPXYHREO-UHFFFAOYSA-N
MW212.29 g/mol
LogP2.29
Rot. Bonds3

About ethyl 2-ethyl-5-methyl-1-oxaspiro[2.4]heptane-2-carboxylate

ethyl 2-ethyl-5-methyl-1-oxaspiro[2.4]heptane-2-carboxylate (PubChem CID 79298034) has the molecular formula C12H20O3 and a molecular weight of 212.29 g/mol. Its IUPAC name is ethyl 2-ethyl-5-methyl-1-oxaspiro[2.4]heptane-2-carboxylate.

Molecular Properties

Compound Nameethyl 2-ethyl-5-methyl-1-oxaspiro[2.4]heptane-2-carboxylate
PubChem CID79298034
Molecular FormulaC12H20O3
Molecular Weight212.29 g/mol
Exact Mass212.14
IUPAC Nameethyl 2-ethyl-5-methyl-1-oxaspiro[2.4]heptane-2-carboxylate
SMILESCCOC(=O)C1(CC)OC12CCC(C)C2
InChIInChI=1S/C12H20O3/c1-4-12(10(13)14-5-2)11(15-12)7-6-9(3)8-11/h9H,4-8H2,1-3H3
InChIKeyMOMXZDBPXYHREO-UHFFFAOYSA-N
XLogP2.29
TPSA38.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-ethyl-5-methyl-1-oxaspiro[2.4]heptane-2-carboxylate?
The IUPAC name of ethyl 2-ethyl-5-methyl-1-oxaspiro[2.4]heptane-2-carboxylate (CID 79298034) is ethyl 2-ethyl-5-methyl-1-oxaspiro[2.4]heptane-2-carboxylate.
What is the SMILES notation for ethyl 2-ethyl-5-methyl-1-oxaspiro[2.4]heptane-2-carboxylate?
The canonical SMILES for ethyl 2-ethyl-5-methyl-1-oxaspiro[2.4]heptane-2-carboxylate is CCOC(=O)C1(CC)OC12CCC(C)C2.
What is the InChIKey of ethyl 2-ethyl-5-methyl-1-oxaspiro[2.4]heptane-2-carboxylate?
The InChIKey is MOMXZDBPXYHREO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O3/c1-4-12(10(13)14-5-2)11(15-12)7-6-9(3)8-11/h9H,4-8H2,1-3H3.
What are the key properties of ethyl 2-ethyl-5-methyl-1-oxaspiro[2.4]heptane-2-carboxylate?
ethyl 2-ethyl-5-methyl-1-oxaspiro[2.4]heptane-2-carboxylate has a molecular weight of 212.29 g/mol, XLogP of 2.29, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-ethyl-5-methyl-1-oxaspiro[2.4]heptane-2-carboxylate is sourced from PubChem (CID 79298034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).