tert-butyl ethaneperoxoate;N,N-dimethylmethanamine

C9H21NO3 — CID 174490181

IUPACtert-butyl ethaneperoxoate;N,N-dimethylmethanamine
SMILESCC(=O)OOC(C)(C)C.CN(C)C
InChIInChI=1S/C6H12O3.C3H9N/c1-5(7)8-9-6(2,3)4;1-4(2)3/h1-4H3;1-3H3
InChIKeyYZRPYVMVSSXABM-UHFFFAOYSA-N
MW191.27 g/mol
LogP1.46
Rot. Bonds1

About tert-butyl ethaneperoxoate;N,N-dimethylmethanamine

tert-butyl ethaneperoxoate;N,N-dimethylmethanamine (PubChem CID 174490181) has the molecular formula C9H21NO3 and a molecular weight of 191.27 g/mol. Its IUPAC name is tert-butyl ethaneperoxoate;N,N-dimethylmethanamine.

Molecular Properties

Compound Nametert-butyl ethaneperoxoate;N,N-dimethylmethanamine
PubChem CID174490181
Molecular FormulaC9H21NO3
Molecular Weight191.27 g/mol
Exact Mass191.15
IUPAC Nametert-butyl ethaneperoxoate;N,N-dimethylmethanamine
SMILESCC(=O)OOC(C)(C)C.CN(C)C
InChIInChI=1S/C6H12O3.C3H9N/c1-5(7)8-9-6(2,3)4;1-4(2)3/h1-4H3;1-3H3
InChIKeyYZRPYVMVSSXABM-UHFFFAOYSA-N
XLogP1.46
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl ethaneperoxoate;N,N-dimethylmethanamine?
The IUPAC name of tert-butyl ethaneperoxoate;N,N-dimethylmethanamine (CID 174490181) is tert-butyl ethaneperoxoate;N,N-dimethylmethanamine.
What is the SMILES notation for tert-butyl ethaneperoxoate;N,N-dimethylmethanamine?
The canonical SMILES for tert-butyl ethaneperoxoate;N,N-dimethylmethanamine is CC(=O)OOC(C)(C)C.CN(C)C.
What is the InChIKey of tert-butyl ethaneperoxoate;N,N-dimethylmethanamine?
The InChIKey is YZRPYVMVSSXABM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O3.C3H9N/c1-5(7)8-9-6(2,3)4;1-4(2)3/h1-4H3;1-3H3.
What are the key properties of tert-butyl ethaneperoxoate;N,N-dimethylmethanamine?
tert-butyl ethaneperoxoate;N,N-dimethylmethanamine has a molecular weight of 191.27 g/mol, XLogP of 1.46, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl ethaneperoxoate;N,N-dimethylmethanamine is sourced from PubChem (CID 174490181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).