triethyl-[2-(2-methylprop-2-enoxy)ethyl]azanium chloride

C12H26ClNO — CID 87437919

IUPACtriethyl-[2-(2-methylprop-2-enoxy)ethyl]azanium chloride
SMILESC=C(C)COCC[N+](CC)(CC)CC.[Cl-]
InChIInChI=1S/C12H26NO.ClH/c1-6-13(7-2,8-3)9-10-14-11-12(4)5;/h4,6-11H2,1-3,5H3;1H/q+1;/p-1
InChIKeyVOCCRHIIXDFYAI-UHFFFAOYSA-M
MW235.80 g/mol
LogP-0.54
Rot. Bonds8

About triethyl-[2-(2-methylprop-2-enoxy)ethyl]azanium chloride

triethyl-[2-(2-methylprop-2-enoxy)ethyl]azanium chloride (PubChem CID 87437919) has the molecular formula C12H26ClNO and a molecular weight of 235.80 g/mol. Its IUPAC name is triethyl-[2-(2-methylprop-2-enoxy)ethyl]azanium chloride.

Molecular Properties

Compound Nametriethyl-[2-(2-methylprop-2-enoxy)ethyl]azanium chloride
PubChem CID87437919
Molecular FormulaC12H26ClNO
Molecular Weight235.80 g/mol
Exact Mass235.17
IUPAC Nametriethyl-[2-(2-methylprop-2-enoxy)ethyl]azanium chloride
SMILESC=C(C)COCC[N+](CC)(CC)CC.[Cl-]
InChIInChI=1S/C12H26NO.ClH/c1-6-13(7-2,8-3)9-10-14-11-12(4)5;/h4,6-11H2,1-3,5H3;1H/q+1;/p-1
InChIKeyVOCCRHIIXDFYAI-UHFFFAOYSA-M
XLogP-0.54
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.80
LogP ≤ 5-0.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of triethyl-[2-(2-methylprop-2-enoxy)ethyl]azanium chloride?
The IUPAC name of triethyl-[2-(2-methylprop-2-enoxy)ethyl]azanium chloride (CID 87437919) is triethyl-[2-(2-methylprop-2-enoxy)ethyl]azanium chloride.
What is the SMILES notation for triethyl-[2-(2-methylprop-2-enoxy)ethyl]azanium chloride?
The canonical SMILES for triethyl-[2-(2-methylprop-2-enoxy)ethyl]azanium chloride is C=C(C)COCC[N+](CC)(CC)CC.[Cl-].
What is the InChIKey of triethyl-[2-(2-methylprop-2-enoxy)ethyl]azanium chloride?
The InChIKey is VOCCRHIIXDFYAI-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H26NO.ClH/c1-6-13(7-2,8-3)9-10-14-11-12(4)5;/h4,6-11H2,1-3,5H3;1H/q+1;/p-1.
What are the key properties of triethyl-[2-(2-methylprop-2-enoxy)ethyl]azanium chloride?
triethyl-[2-(2-methylprop-2-enoxy)ethyl]azanium chloride has a molecular weight of 235.80 g/mol, XLogP of -0.54, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[2-(2-methylprop-2-enoxy)ethyl]azanium chloride is sourced from PubChem (CID 87437919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).