8-ethyl-1,4-dioxaspiro[4.4]nonane

C9H16O2 — CID 21340990

IUPAC8-ethyl-1,4-dioxaspiro[4.4]nonane
SMILESCCC1CCC2(C1)OCCO2
InChIInChI=1S/C9H16O2/c1-2-8-3-4-9(7-8)10-5-6-11-9/h8H,2-7H2,1H3
InChIKeyVUCYOZRIDYXPND-UHFFFAOYSA-N
MW156.22 g/mol
LogP1.94
Rot. Bonds1

About 8-ethyl-1,4-dioxaspiro[4.4]nonane

8-ethyl-1,4-dioxaspiro[4.4]nonane (PubChem CID 21340990) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 8-ethyl-1,4-dioxaspiro[4.4]nonane.

Molecular Properties

Compound Name8-ethyl-1,4-dioxaspiro[4.4]nonane
PubChem CID21340990
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name8-ethyl-1,4-dioxaspiro[4.4]nonane
SMILESCCC1CCC2(C1)OCCO2
InChIInChI=1S/C9H16O2/c1-2-8-3-4-9(7-8)10-5-6-11-9/h8H,2-7H2,1H3
InChIKeyVUCYOZRIDYXPND-UHFFFAOYSA-N
XLogP1.94
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-ethyl-1,4-dioxaspiro[4.4]nonane?
The IUPAC name of 8-ethyl-1,4-dioxaspiro[4.4]nonane (CID 21340990) is 8-ethyl-1,4-dioxaspiro[4.4]nonane.
What is the SMILES notation for 8-ethyl-1,4-dioxaspiro[4.4]nonane?
The canonical SMILES for 8-ethyl-1,4-dioxaspiro[4.4]nonane is CCC1CCC2(C1)OCCO2.
What is the InChIKey of 8-ethyl-1,4-dioxaspiro[4.4]nonane?
The InChIKey is VUCYOZRIDYXPND-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-2-8-3-4-9(7-8)10-5-6-11-9/h8H,2-7H2,1H3.
What are the key properties of 8-ethyl-1,4-dioxaspiro[4.4]nonane?
8-ethyl-1,4-dioxaspiro[4.4]nonane has a molecular weight of 156.22 g/mol, XLogP of 1.94, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-1,4-dioxaspiro[4.4]nonane is sourced from PubChem (CID 21340990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).