triethyl(2-prop-2-enoyloxypropan-2-yl)azanium chloride

C12H24ClNO2 — CID 161382669

IUPACtriethyl(2-prop-2-enoyloxypropan-2-yl)azanium chloride
SMILESC=CC(=O)OC(C)(C)[N+](CC)(CC)CC.[Cl-]
InChIInChI=1S/C12H24NO2.ClH/c1-7-11(14)15-12(5,6)13(8-2,9-3)10-4;/h7H,1,8-10H2,2-6H3;1H/q+1;/p-1
InChIKeyRABPPWAFZXLYGU-UHFFFAOYSA-M
MW249.78 g/mol
LogP-0.67
Rot. Bonds6

About triethyl(2-prop-2-enoyloxypropan-2-yl)azanium chloride

triethyl(2-prop-2-enoyloxypropan-2-yl)azanium chloride (PubChem CID 161382669) has the molecular formula C12H24ClNO2 and a molecular weight of 249.78 g/mol. Its IUPAC name is triethyl(2-prop-2-enoyloxypropan-2-yl)azanium chloride.

Molecular Properties

Compound Nametriethyl(2-prop-2-enoyloxypropan-2-yl)azanium chloride
PubChem CID161382669
Molecular FormulaC12H24ClNO2
Molecular Weight249.78 g/mol
Exact Mass249.15
IUPAC Nametriethyl(2-prop-2-enoyloxypropan-2-yl)azanium chloride
SMILESC=CC(=O)OC(C)(C)[N+](CC)(CC)CC.[Cl-]
InChIInChI=1S/C12H24NO2.ClH/c1-7-11(14)15-12(5,6)13(8-2,9-3)10-4;/h7H,1,8-10H2,2-6H3;1H/q+1;/p-1
InChIKeyRABPPWAFZXLYGU-UHFFFAOYSA-M
XLogP-0.67
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.78
LogP ≤ 5-0.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

dimethyl-octyl-(2-prop-2-enoyloxypropan-2-yl)azanium
CID 174984277
triethyl(3-prop-2-enoyloxyhexan-3-yl)azanium bromide
CID 175252818
(2-methyl-1-methylsulfanylpropan-2-yl) prop-2-enoate
CID 20643698
2,3,3-tri(prop-2-enoyloxy)butan-2-yl prop-2-enoate
CID 141152964
tert-butyl prop-2-enoate
CID 158231977
2,3,3-trimethylpentan-2-yl prop-2-enoate
CID 129167601
diethyl-methyl-(2-methyl-1-prop-2-enoyloxypropan-2-yl)azanium
CID 156790116
2-hydroxypropan-2-yl prop-2-enoate
CID 22726323
tert-butyl prop-2-enoate;methanol
CID 174833528
potassium;tert-butyl prop-2-enoate;hydride
CID 174867410
(3-tert-butyl-2,2,4,4-tetramethylpentan-3-yl) prop-2-enoate
CID 139994874
tert-butyl prop-2-enoate;2-methylpropan-2-ol
CID 157277842

Frequently Asked Questions

What is the IUPAC name of triethyl(2-prop-2-enoyloxypropan-2-yl)azanium chloride?
The IUPAC name of triethyl(2-prop-2-enoyloxypropan-2-yl)azanium chloride (CID 161382669) is triethyl(2-prop-2-enoyloxypropan-2-yl)azanium chloride.
What is the SMILES notation for triethyl(2-prop-2-enoyloxypropan-2-yl)azanium chloride?
The canonical SMILES for triethyl(2-prop-2-enoyloxypropan-2-yl)azanium chloride is C=CC(=O)OC(C)(C)[N+](CC)(CC)CC.[Cl-].
What is the InChIKey of triethyl(2-prop-2-enoyloxypropan-2-yl)azanium chloride?
The InChIKey is RABPPWAFZXLYGU-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H24NO2.ClH/c1-7-11(14)15-12(5,6)13(8-2,9-3)10-4;/h7H,1,8-10H2,2-6H3;1H/q+1;/p-1.
What are the key properties of triethyl(2-prop-2-enoyloxypropan-2-yl)azanium chloride?
triethyl(2-prop-2-enoyloxypropan-2-yl)azanium chloride has a molecular weight of 249.78 g/mol, XLogP of -0.67, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl(2-prop-2-enoyloxypropan-2-yl)azanium chloride is sourced from PubChem (CID 161382669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).