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

C9H14O3 — CID 130668492

IUPACethyl 5-oxaspiro[2.4]heptane-2-carboxylate
SMILESCCOC(=O)C1CC12CCOC2
InChIInChI=1S/C9H14O3/c1-2-12-8(10)7-5-9(7)3-4-11-6-9/h7H,2-6H2,1H3
InChIKeySPKZGLSGWBZGDM-UHFFFAOYSA-N
MW170.21 g/mol
LogP0.98
Rot. Bonds2

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

ethyl 5-oxaspiro[2.4]heptane-2-carboxylate (PubChem CID 130668492) has the molecular formula C9H14O3 and a molecular weight of 170.21 g/mol. Its IUPAC name is ethyl 5-oxaspiro[2.4]heptane-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-oxaspiro[2.4]heptane-2-carboxylate
PubChem CID130668492
Molecular FormulaC9H14O3
Molecular Weight170.21 g/mol
Exact Mass170.09
IUPAC Nameethyl 5-oxaspiro[2.4]heptane-2-carboxylate
SMILESCCOC(=O)C1CC12CCOC2
InChIInChI=1S/C9H14O3/c1-2-12-8(10)7-5-9(7)3-4-11-6-9/h7H,2-6H2,1H3
InChIKeySPKZGLSGWBZGDM-UHFFFAOYSA-N
XLogP0.98
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 5,5,7,7-tetramethylspiro[2.5]octane-2-carboxylate
CID 67102506
ethyl 6-ethyl-6-azaspiro[2.5]octane-2-carboxylate
CID 144539360
ethyl (1R)-2,2-dimethylcyclopropane-1-carboxylate
CID 11378554
ethyl 6-(oxiran-2-yl)spiro[2.5]octane-2-carboxylate
CID 166452993
ethyl 2-amino-2-methylcyclopropane-1-carboxylate
CID 70501712
ethyl 2,2-difluorocyclobutane-1-carboxylate
CID 130638255
2-O-tert-butyl 4-O-ethyl 8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxylate
CID 170758425
ethyl 5,8-dioxaspiro[3.4]octane-2-carboxylate
CID 86713762
ethyl 2-bromo-2-fluorocyclopropane-1-carboxylate
CID 22371314
N-methoxy-6-oxaspiro[2.5]octane-2-carboxamide
CID 130684582
ethyl (1S)-2,2-dicarbonochloridoylcyclopropane-1-carboxylate
CID 129386310
5-oxaspiro[2.5]octane-2-carboxamide
CID 170549524

Frequently Asked Questions

What is the IUPAC name of ethyl 5-oxaspiro[2.4]heptane-2-carboxylate?
The IUPAC name of ethyl 5-oxaspiro[2.4]heptane-2-carboxylate (CID 130668492) is ethyl 5-oxaspiro[2.4]heptane-2-carboxylate.
What is the SMILES notation for ethyl 5-oxaspiro[2.4]heptane-2-carboxylate?
The canonical SMILES for ethyl 5-oxaspiro[2.4]heptane-2-carboxylate is CCOC(=O)C1CC12CCOC2.
What is the InChIKey of ethyl 5-oxaspiro[2.4]heptane-2-carboxylate?
The InChIKey is SPKZGLSGWBZGDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O3/c1-2-12-8(10)7-5-9(7)3-4-11-6-9/h7H,2-6H2,1H3.
What are the key properties of ethyl 5-oxaspiro[2.4]heptane-2-carboxylate?
ethyl 5-oxaspiro[2.4]heptane-2-carboxylate has a molecular weight of 170.21 g/mol, XLogP of 0.98, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-oxaspiro[2.4]heptane-2-carboxylate is sourced from PubChem (CID 130668492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).