2-(2-methylprop-2-enoxy)ethyl-tripropylazanium chloride

C15H32ClNO — CID 87437549

IUPAC2-(2-methylprop-2-enoxy)ethyl-tripropylazanium chloride
SMILESC=C(C)COCC[N+](CCC)(CCC)CCC.[Cl-]
InChIInChI=1S/C15H32NO.ClH/c1-6-9-16(10-7-2,11-8-3)12-13-17-14-15(4)5;/h4,6-14H2,1-3,5H3;1H/q+1;/p-1
InChIKeyZDUIKBVZEMYXMZ-UHFFFAOYSA-M
MW277.88 g/mol
LogP0.63
Rot. Bonds11

About 2-(2-methylprop-2-enoxy)ethyl-tripropylazanium chloride

2-(2-methylprop-2-enoxy)ethyl-tripropylazanium chloride (PubChem CID 87437549) has the molecular formula C15H32ClNO and a molecular weight of 277.88 g/mol. Its IUPAC name is 2-(2-methylprop-2-enoxy)ethyl-tripropylazanium chloride.

Molecular Properties

Compound Name2-(2-methylprop-2-enoxy)ethyl-tripropylazanium chloride
PubChem CID87437549
Molecular FormulaC15H32ClNO
Molecular Weight277.88 g/mol
Exact Mass277.22
IUPAC Name2-(2-methylprop-2-enoxy)ethyl-tripropylazanium chloride
SMILESC=C(C)COCC[N+](CCC)(CCC)CCC.[Cl-]
InChIInChI=1S/C15H32NO.ClH/c1-6-9-16(10-7-2,11-8-3)12-13-17-14-15(4)5;/h4,6-14H2,1-3,5H3;1H/q+1;/p-1
InChIKeyZDUIKBVZEMYXMZ-UHFFFAOYSA-M
XLogP0.63
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.88
LogP ≤ 50.63
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 2-(2-methylprop-2-enoxy)ethyl-tripropylazanium chloride?
The IUPAC name of 2-(2-methylprop-2-enoxy)ethyl-tripropylazanium chloride (CID 87437549) is 2-(2-methylprop-2-enoxy)ethyl-tripropylazanium chloride.
What is the SMILES notation for 2-(2-methylprop-2-enoxy)ethyl-tripropylazanium chloride?
The canonical SMILES for 2-(2-methylprop-2-enoxy)ethyl-tripropylazanium chloride is C=C(C)COCC[N+](CCC)(CCC)CCC.[Cl-].
What is the InChIKey of 2-(2-methylprop-2-enoxy)ethyl-tripropylazanium chloride?
The InChIKey is ZDUIKBVZEMYXMZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H32NO.ClH/c1-6-9-16(10-7-2,11-8-3)12-13-17-14-15(4)5;/h4,6-14H2,1-3,5H3;1H/q+1;/p-1.
What are the key properties of 2-(2-methylprop-2-enoxy)ethyl-tripropylazanium chloride?
2-(2-methylprop-2-enoxy)ethyl-tripropylazanium chloride has a molecular weight of 277.88 g/mol, XLogP of 0.63, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylprop-2-enoxy)ethyl-tripropylazanium chloride is sourced from PubChem (CID 87437549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).