5-(1,4-dioxaspiro[4.5]decan-6-yl)-3-methyl-1,2,4-oxadiazole

C11H16N2O3 — CID 67095925

IUPAC5-(1,4-dioxaspiro[4.5]decan-6-yl)-3-methyl-1,2,4-oxadiazole
SMILESCc1noc(C2CCCCC23OCCO3)n1
InChIInChI=1S/C11H16N2O3/c1-8-12-10(16-13-8)9-4-2-3-5-11(9)14-6-7-15-11/h9H,2-7H2,1H3
InChIKeyBBOKQDAHASWCDU-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.78
Rot. Bonds1

About 5-(1,4-dioxaspiro[4.5]decan-6-yl)-3-methyl-1,2,4-oxadiazole

5-(1,4-dioxaspiro[4.5]decan-6-yl)-3-methyl-1,2,4-oxadiazole (PubChem CID 67095925) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 5-(1,4-dioxaspiro[4.5]decan-6-yl)-3-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(1,4-dioxaspiro[4.5]decan-6-yl)-3-methyl-1,2,4-oxadiazole
PubChem CID67095925
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name5-(1,4-dioxaspiro[4.5]decan-6-yl)-3-methyl-1,2,4-oxadiazole
SMILESCc1noc(C2CCCCC23OCCO3)n1
InChIInChI=1S/C11H16N2O3/c1-8-12-10(16-13-8)9-4-2-3-5-11(9)14-6-7-15-11/h9H,2-7H2,1H3
InChIKeyBBOKQDAHASWCDU-UHFFFAOYSA-N
XLogP1.78
TPSA57.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(1,4-dioxaspiro[4.5]decan-6-yl)-3-methyl-1,2,4-oxadiazole?
The IUPAC name of 5-(1,4-dioxaspiro[4.5]decan-6-yl)-3-methyl-1,2,4-oxadiazole (CID 67095925) is 5-(1,4-dioxaspiro[4.5]decan-6-yl)-3-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(1,4-dioxaspiro[4.5]decan-6-yl)-3-methyl-1,2,4-oxadiazole?
The canonical SMILES for 5-(1,4-dioxaspiro[4.5]decan-6-yl)-3-methyl-1,2,4-oxadiazole is Cc1noc(C2CCCCC23OCCO3)n1.
What is the InChIKey of 5-(1,4-dioxaspiro[4.5]decan-6-yl)-3-methyl-1,2,4-oxadiazole?
The InChIKey is BBOKQDAHASWCDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-8-12-10(16-13-8)9-4-2-3-5-11(9)14-6-7-15-11/h9H,2-7H2,1H3.
What are the key properties of 5-(1,4-dioxaspiro[4.5]decan-6-yl)-3-methyl-1,2,4-oxadiazole?
5-(1,4-dioxaspiro[4.5]decan-6-yl)-3-methyl-1,2,4-oxadiazole has a molecular weight of 224.26 g/mol, XLogP of 1.78, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,4-dioxaspiro[4.5]decan-6-yl)-3-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 67095925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).