ethyl 6-(oxiran-2-yl)spiro[2.5]octane-2-carboxylate

C13H20O3 — CID 166452993

IUPACethyl 6-(oxiran-2-yl)spiro[2.5]octane-2-carboxylate
SMILESCCOC(=O)C1CC12CCC(C1CO1)CC2
InChIInChI=1S/C13H20O3/c1-2-15-12(14)10-7-13(10)5-3-9(4-6-13)11-8-16-11/h9-11H,2-8H2,1H3
InChIKeyBFAAGDWIOHHTFT-UHFFFAOYSA-N
MW224.30 g/mol
LogP2.14
Rot. Bonds3

About ethyl 6-(oxiran-2-yl)spiro[2.5]octane-2-carboxylate

ethyl 6-(oxiran-2-yl)spiro[2.5]octane-2-carboxylate (PubChem CID 166452993) has the molecular formula C13H20O3 and a molecular weight of 224.30 g/mol. Its IUPAC name is ethyl 6-(oxiran-2-yl)spiro[2.5]octane-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-(oxiran-2-yl)spiro[2.5]octane-2-carboxylate
PubChem CID166452993
Molecular FormulaC13H20O3
Molecular Weight224.30 g/mol
Exact Mass224.14
IUPAC Nameethyl 6-(oxiran-2-yl)spiro[2.5]octane-2-carboxylate
SMILESCCOC(=O)C1CC12CCC(C1CO1)CC2
InChIInChI=1S/C13H20O3/c1-2-15-12(14)10-7-13(10)5-3-9(4-6-13)11-8-16-11/h9-11H,2-8H2,1H3
InChIKeyBFAAGDWIOHHTFT-UHFFFAOYSA-N
XLogP2.14
TPSA38.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 52.14
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 6-ethyl-6-azaspiro[2.5]octane-2-carboxylate
CID 144539360
ethyl 5-oxaspiro[2.4]heptane-2-carboxylate
CID 130668492
ethyl 5,5,7,7-tetramethylspiro[2.5]octane-2-carboxylate
CID 67102506
ethyl (1R)-2,2-dimethylcyclopropane-1-carboxylate
CID 11378554
ethyl 2-amino-2-methylcyclopropane-1-carboxylate
CID 70501712
ethyl 2,2-difluorocyclobutane-1-carboxylate
CID 130638255
ethyl 6-(2-amino-3,4-dioxocyclobuten-1-yl)-6-azaspiro[2.5]octane-2-carboxylate
CID 167866072
ethyl 2-ethenyl-2-methylcyclobutane-1-carboxylate
CID 21494881
diethyl (4S,5S)-1,3-dioxolane-4,5-dicarboxylate
CID 6941512
ethyl 7,8-dimethyl-2-azaspiro[4.5]decane-4-carboxylate
CID 114486788
ethyl 2-bromo-2-fluorocyclopropane-1-carboxylate
CID 22371314
cis-ethyl (1S,2S)-2-hexyl-2-methylcyclopropane-1-carboxylate
CID 102020755

Frequently Asked Questions

What is the IUPAC name of ethyl 6-(oxiran-2-yl)spiro[2.5]octane-2-carboxylate?
The IUPAC name of ethyl 6-(oxiran-2-yl)spiro[2.5]octane-2-carboxylate (CID 166452993) is ethyl 6-(oxiran-2-yl)spiro[2.5]octane-2-carboxylate.
What is the SMILES notation for ethyl 6-(oxiran-2-yl)spiro[2.5]octane-2-carboxylate?
The canonical SMILES for ethyl 6-(oxiran-2-yl)spiro[2.5]octane-2-carboxylate is CCOC(=O)C1CC12CCC(C1CO1)CC2.
What is the InChIKey of ethyl 6-(oxiran-2-yl)spiro[2.5]octane-2-carboxylate?
The InChIKey is BFAAGDWIOHHTFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O3/c1-2-15-12(14)10-7-13(10)5-3-9(4-6-13)11-8-16-11/h9-11H,2-8H2,1H3.
What are the key properties of ethyl 6-(oxiran-2-yl)spiro[2.5]octane-2-carboxylate?
ethyl 6-(oxiran-2-yl)spiro[2.5]octane-2-carboxylate has a molecular weight of 224.30 g/mol, XLogP of 2.14, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(oxiran-2-yl)spiro[2.5]octane-2-carboxylate is sourced from PubChem (CID 166452993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).