4,7-dibutyl-2-methyl-1,3,2-benzodioxazole

C15H23NO2 — CID 142853078

IUPAC4,7-dibutyl-2-methyl-1,3,2-benzodioxazole
SMILESCCCCc1ccc(CCCC)c2c1ON(C)O2
InChIInChI=1S/C15H23NO2/c1-4-6-8-12-10-11-13(9-7-5-2)15-14(12)17-16(3)18-15/h10-11H,4-9H2,1-3H3
InChIKeyZUMDUCLAGUVFKY-UHFFFAOYSA-N
MW249.35 g/mol
LogP3.90
Rot. Bonds6

About 4,7-dibutyl-2-methyl-1,3,2-benzodioxazole

4,7-dibutyl-2-methyl-1,3,2-benzodioxazole (PubChem CID 142853078) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 4,7-dibutyl-2-methyl-1,3,2-benzodioxazole.

Molecular Properties

Compound Name4,7-dibutyl-2-methyl-1,3,2-benzodioxazole
PubChem CID142853078
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name4,7-dibutyl-2-methyl-1,3,2-benzodioxazole
SMILESCCCCc1ccc(CCCC)c2c1ON(C)O2
InChIInChI=1S/C15H23NO2/c1-4-6-8-12-10-11-13(9-7-5-2)15-14(12)17-16(3)18-15/h10-11H,4-9H2,1-3H3
InChIKeyZUMDUCLAGUVFKY-UHFFFAOYSA-N
XLogP3.90
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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2,3-dimethyl-1,4-dipentylbenzene
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2-butyl-6-methyl-7-oxabicyclo[2.2.1]hepta-1,3,5-triene
CID 18790901
3-bromo-4-butylphenol
CID 20571557
(2,3-dibutylphenyl)phosphane
CID 19901991
2-butyl-5-(4-butyl-3-hydroxyphenyl)phenol
CID 22954449
3-butyl-4-(2-butyl-4-hydroxyphenyl)phenol
CID 23353932
1,3-dibutyl-2-ethylbenzene
CID 22713046
1,2,3-tributylbenzene;hydrate
CID 172716323
(3-butyl-4-fluorophenyl)-trimethylsilane
CID 15292812

Frequently Asked Questions

What is the IUPAC name of 4,7-dibutyl-2-methyl-1,3,2-benzodioxazole?
The IUPAC name of 4,7-dibutyl-2-methyl-1,3,2-benzodioxazole (CID 142853078) is 4,7-dibutyl-2-methyl-1,3,2-benzodioxazole.
What is the SMILES notation for 4,7-dibutyl-2-methyl-1,3,2-benzodioxazole?
The canonical SMILES for 4,7-dibutyl-2-methyl-1,3,2-benzodioxazole is CCCCc1ccc(CCCC)c2c1ON(C)O2.
What is the InChIKey of 4,7-dibutyl-2-methyl-1,3,2-benzodioxazole?
The InChIKey is ZUMDUCLAGUVFKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-4-6-8-12-10-11-13(9-7-5-2)15-14(12)17-16(3)18-15/h10-11H,4-9H2,1-3H3.
What are the key properties of 4,7-dibutyl-2-methyl-1,3,2-benzodioxazole?
4,7-dibutyl-2-methyl-1,3,2-benzodioxazole has a molecular weight of 249.35 g/mol, XLogP of 3.90, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dibutyl-2-methyl-1,3,2-benzodioxazole is sourced from PubChem (CID 142853078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).