8-ethyl-1-oxaspiro[4.5]decan-2-one

C11H18O2 — CID 18598146

IUPAC8-ethyl-1-oxaspiro[4.5]decan-2-one
SMILESCCC1CCC2(CCC(=O)O2)CC1
InChIInChI=1S/C11H18O2/c1-2-9-3-6-11(7-4-9)8-5-10(12)13-11/h9H,2-8H2,1H3
InChIKeyGITDWIBIPJFPDK-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.66
Rot. Bonds1

About 8-ethyl-1-oxaspiro[4.5]decan-2-one

8-ethyl-1-oxaspiro[4.5]decan-2-one (PubChem CID 18598146) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 8-ethyl-1-oxaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-ethyl-1-oxaspiro[4.5]decan-2-one
PubChem CID18598146
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name8-ethyl-1-oxaspiro[4.5]decan-2-one
SMILESCCC1CCC2(CCC(=O)O2)CC1
InChIInChI=1S/C11H18O2/c1-2-9-3-6-11(7-4-9)8-5-10(12)13-11/h9H,2-8H2,1H3
InChIKeyGITDWIBIPJFPDK-UHFFFAOYSA-N
XLogP2.66
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-ethyl-1-oxaspiro[4.5]decan-2-one?
The IUPAC name of 8-ethyl-1-oxaspiro[4.5]decan-2-one (CID 18598146) is 8-ethyl-1-oxaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-ethyl-1-oxaspiro[4.5]decan-2-one?
The canonical SMILES for 8-ethyl-1-oxaspiro[4.5]decan-2-one is CCC1CCC2(CCC(=O)O2)CC1.
What is the InChIKey of 8-ethyl-1-oxaspiro[4.5]decan-2-one?
The InChIKey is GITDWIBIPJFPDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-2-9-3-6-11(7-4-9)8-5-10(12)13-11/h9H,2-8H2,1H3.
What are the key properties of 8-ethyl-1-oxaspiro[4.5]decan-2-one?
8-ethyl-1-oxaspiro[4.5]decan-2-one has a molecular weight of 182.26 g/mol, XLogP of 2.66, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-1-oxaspiro[4.5]decan-2-one is sourced from PubChem (CID 18598146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).