[2-hydroxy-2-(2-methylprop-2-enoxy)propyl]-trimethylazanium chloride

C10H22ClNO2 — CID 20501211

IUPAC[2-hydroxy-2-(2-methylprop-2-enoxy)propyl]-trimethylazanium chloride
SMILESC=C(C)COC(C)(O)C[N+](C)(C)C.[Cl-]
InChIInChI=1S/C10H22NO2.ClH/c1-9(2)7-13-10(3,12)8-11(4,5)6;/h12H,1,7-8H2,2-6H3;1H/q+1;/p-1
InChIKeyDTZWIBRMZRIMHO-UHFFFAOYSA-M
MW223.74 g/mol
LogP-2.00
Rot. Bonds5

About [2-hydroxy-2-(2-methylprop-2-enoxy)propyl]-trimethylazanium chloride

[2-hydroxy-2-(2-methylprop-2-enoxy)propyl]-trimethylazanium chloride (PubChem CID 20501211) has the molecular formula C10H22ClNO2 and a molecular weight of 223.74 g/mol. Its IUPAC name is [2-hydroxy-2-(2-methylprop-2-enoxy)propyl]-trimethylazanium chloride.

Molecular Properties

Compound Name[2-hydroxy-2-(2-methylprop-2-enoxy)propyl]-trimethylazanium chloride
PubChem CID20501211
Molecular FormulaC10H22ClNO2
Molecular Weight223.74 g/mol
Exact Mass223.13
IUPAC Name[2-hydroxy-2-(2-methylprop-2-enoxy)propyl]-trimethylazanium chloride
SMILESC=C(C)COC(C)(O)C[N+](C)(C)C.[Cl-]
InChIInChI=1S/C10H22NO2.ClH/c1-9(2)7-13-10(3,12)8-11(4,5)6;/h12H,1,7-8H2,2-6H3;1H/q+1;/p-1
InChIKeyDTZWIBRMZRIMHO-UHFFFAOYSA-M
XLogP-2.00
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.74
LogP ≤ 5-2.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', '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-hydroxy-2-(2-methylprop-2-enoxy)propyl]-trimethylazanium chloride?
The IUPAC name of [2-hydroxy-2-(2-methylprop-2-enoxy)propyl]-trimethylazanium chloride (CID 20501211) is [2-hydroxy-2-(2-methylprop-2-enoxy)propyl]-trimethylazanium chloride.
What is the SMILES notation for [2-hydroxy-2-(2-methylprop-2-enoxy)propyl]-trimethylazanium chloride?
The canonical SMILES for [2-hydroxy-2-(2-methylprop-2-enoxy)propyl]-trimethylazanium chloride is C=C(C)COC(C)(O)C[N+](C)(C)C.[Cl-].
What is the InChIKey of [2-hydroxy-2-(2-methylprop-2-enoxy)propyl]-trimethylazanium chloride?
The InChIKey is DTZWIBRMZRIMHO-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H22NO2.ClH/c1-9(2)7-13-10(3,12)8-11(4,5)6;/h12H,1,7-8H2,2-6H3;1H/q+1;/p-1.
What are the key properties of [2-hydroxy-2-(2-methylprop-2-enoxy)propyl]-trimethylazanium chloride?
[2-hydroxy-2-(2-methylprop-2-enoxy)propyl]-trimethylazanium chloride has a molecular weight of 223.74 g/mol, XLogP of -2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-hydroxy-2-(2-methylprop-2-enoxy)propyl]-trimethylazanium chloride is sourced from PubChem (CID 20501211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).