3-(2,2-dimethylpropyl)-1,4,2-dioxazol-5-one

C7H11NO3 — CID 142619103

IUPAC3-(2,2-dimethylpropyl)-1,4,2-dioxazol-5-one
SMILESCC(C)(C)Cc1noc(=O)o1
InChIInChI=1S/C7H11NO3/c1-7(2,3)4-5-8-11-6(9)10-5/h4H2,1-3H3
InChIKeyCHIVRVGXKICAMB-UHFFFAOYSA-N
MW157.17 g/mol
LogP1.22
Rot. Bonds1

About 3-(2,2-dimethylpropyl)-1,4,2-dioxazol-5-one

3-(2,2-dimethylpropyl)-1,4,2-dioxazol-5-one (PubChem CID 142619103) has the molecular formula C7H11NO3 and a molecular weight of 157.17 g/mol. Its IUPAC name is 3-(2,2-dimethylpropyl)-1,4,2-dioxazol-5-one.

Molecular Properties

Compound Name3-(2,2-dimethylpropyl)-1,4,2-dioxazol-5-one
PubChem CID142619103
Molecular FormulaC7H11NO3
Molecular Weight157.17 g/mol
Exact Mass157.07
IUPAC Name3-(2,2-dimethylpropyl)-1,4,2-dioxazol-5-one
SMILESCC(C)(C)Cc1noc(=O)o1
InChIInChI=1S/C7H11NO3/c1-7(2,3)4-5-8-11-6(9)10-5/h4H2,1-3H3
InChIKeyCHIVRVGXKICAMB-UHFFFAOYSA-N
XLogP1.22
TPSA56.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpropyl)-1,4,2-dioxazol-5-one?
The IUPAC name of 3-(2,2-dimethylpropyl)-1,4,2-dioxazol-5-one (CID 142619103) is 3-(2,2-dimethylpropyl)-1,4,2-dioxazol-5-one.
What is the SMILES notation for 3-(2,2-dimethylpropyl)-1,4,2-dioxazol-5-one?
The canonical SMILES for 3-(2,2-dimethylpropyl)-1,4,2-dioxazol-5-one is CC(C)(C)Cc1noc(=O)o1.
What is the InChIKey of 3-(2,2-dimethylpropyl)-1,4,2-dioxazol-5-one?
The InChIKey is CHIVRVGXKICAMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO3/c1-7(2,3)4-5-8-11-6(9)10-5/h4H2,1-3H3.
What are the key properties of 3-(2,2-dimethylpropyl)-1,4,2-dioxazol-5-one?
3-(2,2-dimethylpropyl)-1,4,2-dioxazol-5-one has a molecular weight of 157.17 g/mol, XLogP of 1.22, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpropyl)-1,4,2-dioxazol-5-one is sourced from PubChem (CID 142619103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).