2-(diethylamino)ethyl 2-methylprop-2-eneperoxoate

C10H19NO3 — CID 18961391

IUPAC2-(diethylamino)ethyl 2-methylprop-2-eneperoxoate
SMILESC=C(C)C(=O)OOCCN(CC)CC
InChIInChI=1S/C10H19NO3/c1-5-11(6-2)7-8-13-14-10(12)9(3)4/h3,5-8H2,1-2,4H3
InChIKeyRFQDRTNLSVEJJI-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.38
Rot. Bonds7

About 2-(diethylamino)ethyl 2-methylprop-2-eneperoxoate

2-(diethylamino)ethyl 2-methylprop-2-eneperoxoate (PubChem CID 18961391) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 2-(diethylamino)ethyl 2-methylprop-2-eneperoxoate.

Molecular Properties

Compound Name2-(diethylamino)ethyl 2-methylprop-2-eneperoxoate
PubChem CID18961391
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name2-(diethylamino)ethyl 2-methylprop-2-eneperoxoate
SMILESC=C(C)C(=O)OOCCN(CC)CC
InChIInChI=1S/C10H19NO3/c1-5-11(6-2)7-8-13-14-10(12)9(3)4/h3,5-8H2,1-2,4H3
InChIKeyRFQDRTNLSVEJJI-UHFFFAOYSA-N
XLogP1.38
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'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 2-(diethylamino)ethyl 2-methylprop-2-eneperoxoate?
The IUPAC name of 2-(diethylamino)ethyl 2-methylprop-2-eneperoxoate (CID 18961391) is 2-(diethylamino)ethyl 2-methylprop-2-eneperoxoate.
What is the SMILES notation for 2-(diethylamino)ethyl 2-methylprop-2-eneperoxoate?
The canonical SMILES for 2-(diethylamino)ethyl 2-methylprop-2-eneperoxoate is C=C(C)C(=O)OOCCN(CC)CC.
What is the InChIKey of 2-(diethylamino)ethyl 2-methylprop-2-eneperoxoate?
The InChIKey is RFQDRTNLSVEJJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-5-11(6-2)7-8-13-14-10(12)9(3)4/h3,5-8H2,1-2,4H3.
What are the key properties of 2-(diethylamino)ethyl 2-methylprop-2-eneperoxoate?
2-(diethylamino)ethyl 2-methylprop-2-eneperoxoate has a molecular weight of 201.27 g/mol, XLogP of 1.38, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)ethyl 2-methylprop-2-eneperoxoate is sourced from PubChem (CID 18961391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).