ethyl 2-(1-oxaspiro[4.5]decan-8-yl)acetate

C13H22O3 — CID 69067707

IUPACethyl 2-(1-oxaspiro[4.5]decan-8-yl)acetate
SMILESCCOC(=O)CC1CCC2(CCCO2)CC1
InChIInChI=1S/C13H22O3/c1-2-15-12(14)10-11-4-7-13(8-5-11)6-3-9-16-13/h11H,2-10H2,1H3
InChIKeyIUZDIWGMXYAHCS-UHFFFAOYSA-N
MW226.32 g/mol
LogP2.68
Rot. Bonds3

About ethyl 2-(1-oxaspiro[4.5]decan-8-yl)acetate

ethyl 2-(1-oxaspiro[4.5]decan-8-yl)acetate (PubChem CID 69067707) has the molecular formula C13H22O3 and a molecular weight of 226.32 g/mol. Its IUPAC name is ethyl 2-(1-oxaspiro[4.5]decan-8-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(1-oxaspiro[4.5]decan-8-yl)acetate
PubChem CID69067707
Molecular FormulaC13H22O3
Molecular Weight226.32 g/mol
Exact Mass226.16
IUPAC Nameethyl 2-(1-oxaspiro[4.5]decan-8-yl)acetate
SMILESCCOC(=O)CC1CCC2(CCCO2)CC1
InChIInChI=1S/C13H22O3/c1-2-15-12(14)10-11-4-7-13(8-5-11)6-3-9-16-13/h11H,2-10H2,1H3
InChIKeyIUZDIWGMXYAHCS-UHFFFAOYSA-N
XLogP2.68
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1-oxaspiro[4.5]decan-8-yl)acetate?
The IUPAC name of ethyl 2-(1-oxaspiro[4.5]decan-8-yl)acetate (CID 69067707) is ethyl 2-(1-oxaspiro[4.5]decan-8-yl)acetate.
What is the SMILES notation for ethyl 2-(1-oxaspiro[4.5]decan-8-yl)acetate?
The canonical SMILES for ethyl 2-(1-oxaspiro[4.5]decan-8-yl)acetate is CCOC(=O)CC1CCC2(CCCO2)CC1.
What is the InChIKey of ethyl 2-(1-oxaspiro[4.5]decan-8-yl)acetate?
The InChIKey is IUZDIWGMXYAHCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O3/c1-2-15-12(14)10-11-4-7-13(8-5-11)6-3-9-16-13/h11H,2-10H2,1H3.
What are the key properties of ethyl 2-(1-oxaspiro[4.5]decan-8-yl)acetate?
ethyl 2-(1-oxaspiro[4.5]decan-8-yl)acetate has a molecular weight of 226.32 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1-oxaspiro[4.5]decan-8-yl)acetate is sourced from PubChem (CID 69067707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).