triethyl-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propyl]azanium chloride

C13H26ClNO3 — CID 18541546

IUPACtriethyl-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propyl]azanium chloride
SMILESC=C(C)C(=O)OCC(O)C[N+](CC)(CC)CC.[Cl-]
InChIInChI=1S/C13H26NO3.ClH/c1-6-14(7-2,8-3)9-12(15)10-17-13(16)11(4)5;/h12,15H,4,6-10H2,1-3,5H3;1H/q+1;/p-1
InChIKeyWJWWMQDVQMMVKJ-UHFFFAOYSA-M
MW279.81 g/mol
LogP-1.65
Rot. Bonds8

About triethyl-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propyl]azanium chloride

triethyl-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propyl]azanium chloride (PubChem CID 18541546) has the molecular formula C13H26ClNO3 and a molecular weight of 279.81 g/mol. Its IUPAC name is triethyl-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propyl]azanium chloride.

Molecular Properties

Compound Nametriethyl-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propyl]azanium chloride
PubChem CID18541546
Molecular FormulaC13H26ClNO3
Molecular Weight279.81 g/mol
Exact Mass279.16
IUPAC Nametriethyl-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propyl]azanium chloride
SMILESC=C(C)C(=O)OCC(O)C[N+](CC)(CC)CC.[Cl-]
InChIInChI=1S/C13H26NO3.ClH/c1-6-14(7-2,8-3)9-12(15)10-17-13(16)11(4)5;/h12,15H,4,6-10H2,1-3,5H3;1H/q+1;/p-1
InChIKeyWJWWMQDVQMMVKJ-UHFFFAOYSA-M
XLogP-1.65
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.81
LogP ≤ 5-1.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

diethyl-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propyl]-methylazanium chloride
CID 19800674
(3-chloro-2-hydroxypropyl)-diethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium
CID 3022464
[3-hydroxy-4-(2-methylprop-2-enoyloxy)butyl] 2-methylprop-2-enoate
CID 19428981
2,3-dihydroxypropyl 2-methylprop-2-enoate;propane
CID 87556862
(2-hydroxy-3-propanoyloxypropyl) 2-methylprop-2-enoate
CID 20746567
(2-hydroxy-3-methoxypropyl) 2-methylprop-2-enoate
CID 15315335
(4-amino-2-hydroxy-4-oxobutyl) 2-methylprop-2-enoate
CID 87605994
(2-hydroxy-3-methoxycarbonyloxypropyl) 2-methylprop-2-enoate
CID 139917348
methyl 4-hydroxy-2-methylidene-5-(2-methylprop-2-enoyloxy)pentanoate
CID 174987309
[2-hydroxy-3-[2-[2-[2-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propoxy]ethoxy]ethoxy]ethoxy]propyl] 2-methylprop-2-enoate
CID 12800792
[2-hydroxy-3-[[2-hydroxy-3-(2-methylprop-2-enoyloxy)propyl]-propylamino]propyl] 2-methylprop-2-enoate
CID 87760965
[(2R)-2-hydroxytetradecyl] 2-methylprop-2-enoate
CID 99121360

Frequently Asked Questions

What is the IUPAC name of triethyl-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propyl]azanium chloride?
The IUPAC name of triethyl-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propyl]azanium chloride (CID 18541546) is triethyl-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propyl]azanium chloride.
What is the SMILES notation for triethyl-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propyl]azanium chloride?
The canonical SMILES for triethyl-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propyl]azanium chloride is C=C(C)C(=O)OCC(O)C[N+](CC)(CC)CC.[Cl-].
What is the InChIKey of triethyl-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propyl]azanium chloride?
The InChIKey is WJWWMQDVQMMVKJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H26NO3.ClH/c1-6-14(7-2,8-3)9-12(15)10-17-13(16)11(4)5;/h12,15H,4,6-10H2,1-3,5H3;1H/q+1;/p-1.
What are the key properties of triethyl-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propyl]azanium chloride?
triethyl-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propyl]azanium chloride has a molecular weight of 279.81 g/mol, XLogP of -1.65, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propyl]azanium chloride is sourced from PubChem (CID 18541546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).