3-(1,4-dioxaspiro[4.5]decan-8-yloxymethyl)-4-methyl-1,2,5-oxadiazole

C12H18N2O4 — CID 113414147

IUPAC3-(1,4-dioxaspiro[4.5]decan-8-yloxymethyl)-4-methyl-1,2,5-oxadiazole
SMILESCc1nonc1COC1CCC2(CC1)OCCO2
InChIInChI=1S/C12H18N2O4/c1-9-11(14-18-13-9)8-15-10-2-4-12(5-3-10)16-6-7-17-12/h10H,2-8H2,1H3
InChIKeyGOTLGDFWSIRUSF-UHFFFAOYSA-N
MW254.29 g/mol
LogP1.58
Rot. Bonds3

About 3-(1,4-dioxaspiro[4.5]decan-8-yloxymethyl)-4-methyl-1,2,5-oxadiazole

3-(1,4-dioxaspiro[4.5]decan-8-yloxymethyl)-4-methyl-1,2,5-oxadiazole (PubChem CID 113414147) has the molecular formula C12H18N2O4 and a molecular weight of 254.29 g/mol. Its IUPAC name is 3-(1,4-dioxaspiro[4.5]decan-8-yloxymethyl)-4-methyl-1,2,5-oxadiazole.

Molecular Properties

Compound Name3-(1,4-dioxaspiro[4.5]decan-8-yloxymethyl)-4-methyl-1,2,5-oxadiazole
PubChem CID113414147
Molecular FormulaC12H18N2O4
Molecular Weight254.29 g/mol
Exact Mass254.13
IUPAC Name3-(1,4-dioxaspiro[4.5]decan-8-yloxymethyl)-4-methyl-1,2,5-oxadiazole
SMILESCc1nonc1COC1CCC2(CC1)OCCO2
InChIInChI=1S/C12H18N2O4/c1-9-11(14-18-13-9)8-15-10-2-4-12(5-3-10)16-6-7-17-12/h10H,2-8H2,1H3
InChIKeyGOTLGDFWSIRUSF-UHFFFAOYSA-N
XLogP1.58
TPSA66.61 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-(1,4-dioxaspiro[4.5]decan-8-yloxymethyl)-4-methyl-1,2,5-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(1,4-dioxaspiro[4.5]decan-8-yloxymethyl)-4-methyl-1,2,5-oxadiazole?
The IUPAC name of 3-(1,4-dioxaspiro[4.5]decan-8-yloxymethyl)-4-methyl-1,2,5-oxadiazole (CID 113414147) is 3-(1,4-dioxaspiro[4.5]decan-8-yloxymethyl)-4-methyl-1,2,5-oxadiazole.
What is the SMILES notation for 3-(1,4-dioxaspiro[4.5]decan-8-yloxymethyl)-4-methyl-1,2,5-oxadiazole?
The canonical SMILES for 3-(1,4-dioxaspiro[4.5]decan-8-yloxymethyl)-4-methyl-1,2,5-oxadiazole is Cc1nonc1COC1CCC2(CC1)OCCO2.
What is the InChIKey of 3-(1,4-dioxaspiro[4.5]decan-8-yloxymethyl)-4-methyl-1,2,5-oxadiazole?
The InChIKey is GOTLGDFWSIRUSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4/c1-9-11(14-18-13-9)8-15-10-2-4-12(5-3-10)16-6-7-17-12/h10H,2-8H2,1H3.
What are the key properties of 3-(1,4-dioxaspiro[4.5]decan-8-yloxymethyl)-4-methyl-1,2,5-oxadiazole?
3-(1,4-dioxaspiro[4.5]decan-8-yloxymethyl)-4-methyl-1,2,5-oxadiazole has a molecular weight of 254.29 g/mol, XLogP of 1.58, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,4-dioxaspiro[4.5]decan-8-yloxymethyl)-4-methyl-1,2,5-oxadiazole is sourced from PubChem (CID 113414147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).