triethyl(3-prop-2-enoyloxypropyl)azanium iodide

C12H24INO2 — CID 141332057

IUPACtriethyl(3-prop-2-enoyloxypropyl)azanium iodide
SMILESC=CC(=O)OCCC[N+](CC)(CC)CC.[I-]
InChIInChI=1S/C12H24NO2.HI/c1-5-12(14)15-11-9-10-13(6-2,7-3)8-4;/h5H,1,6-11H2,2-4H3;1H/q+1;/p-1
InChIKeyVQOSETCZRGSBJW-UHFFFAOYSA-M
MW341.23 g/mol
LogP-1.01
Rot. Bonds8

About triethyl(3-prop-2-enoyloxypropyl)azanium iodide

triethyl(3-prop-2-enoyloxypropyl)azanium iodide (PubChem CID 141332057) has the molecular formula C12H24INO2 and a molecular weight of 341.23 g/mol. Its IUPAC name is triethyl(3-prop-2-enoyloxypropyl)azanium iodide.

Molecular Properties

Compound Nametriethyl(3-prop-2-enoyloxypropyl)azanium iodide
PubChem CID141332057
Molecular FormulaC12H24INO2
Molecular Weight341.23 g/mol
Exact Mass341.09
IUPAC Nametriethyl(3-prop-2-enoyloxypropyl)azanium iodide
SMILESC=CC(=O)OCCC[N+](CC)(CC)CC.[I-]
InChIInChI=1S/C12H24NO2.HI/c1-5-12(14)15-11-9-10-13(6-2,7-3)8-4;/h5H,1,6-11H2,2-4H3;1H/q+1;/p-1
InChIKeyVQOSETCZRGSBJW-UHFFFAOYSA-M
XLogP-1.01
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.23
LogP ≤ 5-1.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'iodine', '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

dodecyl-diethyl-(2-prop-2-enoyloxyethyl)azanium
CID 157324966
diethyl-methyl-(4-prop-2-enoyloxybutyl)azanium
CID 54323618
butyl-dihydroxy-(3-prop-2-enoyloxypropyl)azanium
CID 121348017
ethyl-dimethyl-(2-prop-2-enoyloxyethyl)azanium iodide
CID 86070106
8-prop-2-enoyloxyoctyl prop-2-enoate
CID 12934232
azane;3-prop-2-enoyloxypropyl prop-2-enoate
CID 162679005
4-prop-2-enoyloxybutyl prop-2-enoate;6-prop-2-enoyloxyhexyl prop-2-enoate
CID 158256375
dodecyl-ethyl-methyl-(2-prop-2-enoyloxyethyl)azanium
CID 141141400
decyl prop-2-enoate
CID 162172023
docosyl prop-2-enoate;henicosyl prop-2-enoate;tetracosyl prop-2-enoate;tricosyl prop-2-enoate
CID 161245650
pentatriacontyl prop-2-enoate
CID 141309454
hexyl prop-2-enoate
CID 17259

Frequently Asked Questions

What is the IUPAC name of triethyl(3-prop-2-enoyloxypropyl)azanium iodide?
The IUPAC name of triethyl(3-prop-2-enoyloxypropyl)azanium iodide (CID 141332057) is triethyl(3-prop-2-enoyloxypropyl)azanium iodide.
What is the SMILES notation for triethyl(3-prop-2-enoyloxypropyl)azanium iodide?
The canonical SMILES for triethyl(3-prop-2-enoyloxypropyl)azanium iodide is C=CC(=O)OCCC[N+](CC)(CC)CC.[I-].
What is the InChIKey of triethyl(3-prop-2-enoyloxypropyl)azanium iodide?
The InChIKey is VQOSETCZRGSBJW-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H24NO2.HI/c1-5-12(14)15-11-9-10-13(6-2,7-3)8-4;/h5H,1,6-11H2,2-4H3;1H/q+1;/p-1.
What are the key properties of triethyl(3-prop-2-enoyloxypropyl)azanium iodide?
triethyl(3-prop-2-enoyloxypropyl)azanium iodide has a molecular weight of 341.23 g/mol, XLogP of -1.01, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl(3-prop-2-enoyloxypropyl)azanium iodide is sourced from PubChem (CID 141332057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).