ethyl 2-ethyl-4,5-dimethyl-1-oxaspiro[2.5]octane-2-carboxylate

C14H24O3 — CID 79298799

IUPACethyl 2-ethyl-4,5-dimethyl-1-oxaspiro[2.5]octane-2-carboxylate
SMILESCCOC(=O)C1(CC)OC12CCCC(C)C2C
InChIInChI=1S/C14H24O3/c1-5-13(12(15)16-6-2)14(17-13)9-7-8-10(3)11(14)4/h10-11H,5-9H2,1-4H3
InChIKeyKCZNBAVBRJESMY-UHFFFAOYSA-N
MW240.34 g/mol
LogP2.92
Rot. Bonds3

About ethyl 2-ethyl-4,5-dimethyl-1-oxaspiro[2.5]octane-2-carboxylate

ethyl 2-ethyl-4,5-dimethyl-1-oxaspiro[2.5]octane-2-carboxylate (PubChem CID 79298799) has the molecular formula C14H24O3 and a molecular weight of 240.34 g/mol. Its IUPAC name is ethyl 2-ethyl-4,5-dimethyl-1-oxaspiro[2.5]octane-2-carboxylate.

Molecular Properties

Compound Nameethyl 2-ethyl-4,5-dimethyl-1-oxaspiro[2.5]octane-2-carboxylate
PubChem CID79298799
Molecular FormulaC14H24O3
Molecular Weight240.34 g/mol
Exact Mass240.17
IUPAC Nameethyl 2-ethyl-4,5-dimethyl-1-oxaspiro[2.5]octane-2-carboxylate
SMILESCCOC(=O)C1(CC)OC12CCCC(C)C2C
InChIInChI=1S/C14H24O3/c1-5-13(12(15)16-6-2)14(17-13)9-7-8-10(3)11(14)4/h10-11H,5-9H2,1-4H3
InChIKeyKCZNBAVBRJESMY-UHFFFAOYSA-N
XLogP2.92
TPSA38.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.34
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethyl 2-ethyl-4,5-dimethyl-1-oxaspiro[2.5]octane-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2,4-diethyl-1-oxaspiro[2.5]octane-2-carboxylate
CID 79298264
ethyl 4-methoxy-2-propyl-1-oxaspiro[2.5]octane-2-carboxylate
CID 106874628
ethyl 2-ethyl-1-oxaspiro[2.2]pentane-2-carboxylate
CID 15207484
ethyl 2-ethyl-5-methyl-1-oxaspiro[2.4]heptane-2-carboxylate
CID 79298034
ethyl 2-ethyl-1-oxaspiro[2.7]decane-2-carboxylate
CID 79299007
ethyl (3aR,6aS)-6a-hydroxy-1-methyl-1,2,3,4,5,6-hexahydropentalene-3a-carboxylate
CID 11735992
ethyl 4,4-dimethyl-2-propyl-1-oxaspiro[2.4]heptane-2-carboxylate
CID 83047841
ethyl 2-[2,3-dimethyl-1-(methylamino)cyclohexyl]acetate
CID 65236956
ethyl 2-ethyl-3,3-dipropyloxirane-2-carboxylate
CID 79298033
ethyl 2-methyl-1-(methylamino)cyclopentane-1-carboxylate
CID 65045182
ethyl 4-ethyl-1-methylcycloheptane-1-carboxylate
CID 123793708
ethyl 1-ethoxy-4-methylcyclohexane-1-carboxylate
CID 129125852

Frequently Asked Questions

What is the IUPAC name of ethyl 2-ethyl-4,5-dimethyl-1-oxaspiro[2.5]octane-2-carboxylate?
The IUPAC name of ethyl 2-ethyl-4,5-dimethyl-1-oxaspiro[2.5]octane-2-carboxylate (CID 79298799) is ethyl 2-ethyl-4,5-dimethyl-1-oxaspiro[2.5]octane-2-carboxylate.
What is the SMILES notation for ethyl 2-ethyl-4,5-dimethyl-1-oxaspiro[2.5]octane-2-carboxylate?
The canonical SMILES for ethyl 2-ethyl-4,5-dimethyl-1-oxaspiro[2.5]octane-2-carboxylate is CCOC(=O)C1(CC)OC12CCCC(C)C2C.
What is the InChIKey of ethyl 2-ethyl-4,5-dimethyl-1-oxaspiro[2.5]octane-2-carboxylate?
The InChIKey is KCZNBAVBRJESMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O3/c1-5-13(12(15)16-6-2)14(17-13)9-7-8-10(3)11(14)4/h10-11H,5-9H2,1-4H3.
What are the key properties of ethyl 2-ethyl-4,5-dimethyl-1-oxaspiro[2.5]octane-2-carboxylate?
ethyl 2-ethyl-4,5-dimethyl-1-oxaspiro[2.5]octane-2-carboxylate has a molecular weight of 240.34 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-ethyl-4,5-dimethyl-1-oxaspiro[2.5]octane-2-carboxylate is sourced from PubChem (CID 79298799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).