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

C14H24O3 — CID 79298264

IUPACethyl 2,4-diethyl-1-oxaspiro[2.5]octane-2-carboxylate
SMILESCCOC(=O)C1(CC)OC12CCCCC2CC
InChIInChI=1S/C14H24O3/c1-4-11-9-7-8-10-14(11)13(5-2,17-14)12(15)16-6-3/h11H,4-10H2,1-3H3
InChIKeyWYKDMUZEOUIUKY-UHFFFAOYSA-N
MW240.34 g/mol
LogP3.07
Rot. Bonds4

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

ethyl 2,4-diethyl-1-oxaspiro[2.5]octane-2-carboxylate (PubChem CID 79298264) has the molecular formula C14H24O3 and a molecular weight of 240.34 g/mol. Its IUPAC name is ethyl 2,4-diethyl-1-oxaspiro[2.5]octane-2-carboxylate.

Molecular Properties

Compound Nameethyl 2,4-diethyl-1-oxaspiro[2.5]octane-2-carboxylate
PubChem CID79298264
Molecular FormulaC14H24O3
Molecular Weight240.34 g/mol
Exact Mass240.17
IUPAC Nameethyl 2,4-diethyl-1-oxaspiro[2.5]octane-2-carboxylate
SMILESCCOC(=O)C1(CC)OC12CCCCC2CC
InChIInChI=1S/C14H24O3/c1-4-11-9-7-8-10-14(11)13(5-2,17-14)12(15)16-6-3/h11H,4-10H2,1-3H3
InChIKeyWYKDMUZEOUIUKY-UHFFFAOYSA-N
XLogP3.07
TPSA38.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.34
LogP ≤ 53.07
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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Related Compounds

ethyl 2-ethyl-4,5-dimethyl-1-oxaspiro[2.5]octane-2-carboxylate
CID 79298799
ethyl 4-methoxy-2-propyl-1-oxaspiro[2.5]octane-2-carboxylate
CID 106874628
ethyl 2-ethyl-1-oxaspiro[2.7]decane-2-carboxylate
CID 79299007
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 (3aS,7aS)-3,4,5,6,7,7a-hexahydro-2H-1-benzofuran-3a-carboxylate
CID 125042073
ethyl 4,4-dimethyl-2-propyl-1-oxaspiro[2.4]heptane-2-carboxylate
CID 83047841
trans-tert-butyl (1R,2R)-1-amino-2-ethylcyclohexane-1-carboxylate
CID 125426213
ethyl (1S,6S)-7-methylbicyclo[4.1.0]heptane-7-carboxylate
CID 6932755
8a-ethoxycarbonyl-1,2,3,4,5,6,7,8-octahydronaphthalene-4a-carboxylic acid
CID 12859727
ethyl 2-[1-(diethylamino)-2-ethylcyclohexyl]acetate
CID 64541600
ethyl 1-amino-2-(3-methoxypropyl)cyclohexane-1-carboxylate
CID 67920795

Frequently Asked Questions

What is the IUPAC name of ethyl 2,4-diethyl-1-oxaspiro[2.5]octane-2-carboxylate?
The IUPAC name of ethyl 2,4-diethyl-1-oxaspiro[2.5]octane-2-carboxylate (CID 79298264) is ethyl 2,4-diethyl-1-oxaspiro[2.5]octane-2-carboxylate.
What is the SMILES notation for ethyl 2,4-diethyl-1-oxaspiro[2.5]octane-2-carboxylate?
The canonical SMILES for ethyl 2,4-diethyl-1-oxaspiro[2.5]octane-2-carboxylate is CCOC(=O)C1(CC)OC12CCCCC2CC.
What is the InChIKey of ethyl 2,4-diethyl-1-oxaspiro[2.5]octane-2-carboxylate?
The InChIKey is WYKDMUZEOUIUKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O3/c1-4-11-9-7-8-10-14(11)13(5-2,17-14)12(15)16-6-3/h11H,4-10H2,1-3H3.
What are the key properties of ethyl 2,4-diethyl-1-oxaspiro[2.5]octane-2-carboxylate?
ethyl 2,4-diethyl-1-oxaspiro[2.5]octane-2-carboxylate has a molecular weight of 240.34 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,4-diethyl-1-oxaspiro[2.5]octane-2-carboxylate is sourced from PubChem (CID 79298264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).