ethyl 2-(1,4,8-trioxaspiro[4.5]decan-7-yl)acetate

C11H18O5 — CID 163240190

IUPACethyl 2-(1,4,8-trioxaspiro[4.5]decan-7-yl)acetate
SMILESCCOC(=O)CC1CC2(CCO1)OCCO2
InChIInChI=1S/C11H18O5/c1-2-13-10(12)7-9-8-11(3-4-14-9)15-5-6-16-11/h9H,2-8H2,1H3
InChIKeyKKTJLZPEMMFMLL-UHFFFAOYSA-N
MW230.26 g/mol
LogP0.86
Rot. Bonds3

About ethyl 2-(1,4,8-trioxaspiro[4.5]decan-7-yl)acetate

ethyl 2-(1,4,8-trioxaspiro[4.5]decan-7-yl)acetate (PubChem CID 163240190) has the molecular formula C11H18O5 and a molecular weight of 230.26 g/mol. Its IUPAC name is ethyl 2-(1,4,8-trioxaspiro[4.5]decan-7-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(1,4,8-trioxaspiro[4.5]decan-7-yl)acetate
PubChem CID163240190
Molecular FormulaC11H18O5
Molecular Weight230.26 g/mol
Exact Mass230.12
IUPAC Nameethyl 2-(1,4,8-trioxaspiro[4.5]decan-7-yl)acetate
SMILESCCOC(=O)CC1CC2(CCO1)OCCO2
InChIInChI=1S/C11H18O5/c1-2-13-10(12)7-9-8-11(3-4-14-9)15-5-6-16-11/h9H,2-8H2,1H3
InChIKeyKKTJLZPEMMFMLL-UHFFFAOYSA-N
XLogP0.86
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1,4,8-trioxaspiro[4.5]decan-7-yl)acetate?
The IUPAC name of ethyl 2-(1,4,8-trioxaspiro[4.5]decan-7-yl)acetate (CID 163240190) is ethyl 2-(1,4,8-trioxaspiro[4.5]decan-7-yl)acetate.
What is the SMILES notation for ethyl 2-(1,4,8-trioxaspiro[4.5]decan-7-yl)acetate?
The canonical SMILES for ethyl 2-(1,4,8-trioxaspiro[4.5]decan-7-yl)acetate is CCOC(=O)CC1CC2(CCO1)OCCO2.
What is the InChIKey of ethyl 2-(1,4,8-trioxaspiro[4.5]decan-7-yl)acetate?
The InChIKey is KKTJLZPEMMFMLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O5/c1-2-13-10(12)7-9-8-11(3-4-14-9)15-5-6-16-11/h9H,2-8H2,1H3.
What are the key properties of ethyl 2-(1,4,8-trioxaspiro[4.5]decan-7-yl)acetate?
ethyl 2-(1,4,8-trioxaspiro[4.5]decan-7-yl)acetate has a molecular weight of 230.26 g/mol, XLogP of 0.86, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1,4,8-trioxaspiro[4.5]decan-7-yl)acetate is sourced from PubChem (CID 163240190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).