11-hydroxyundecyl(trimethyl)azanium bromide

C14H32BrNO — CID 10638682

IUPAC11-hydroxyundecyl(trimethyl)azanium bromide
SMILESC[N+](C)(C)CCCCCCCCCCCO.[Br-]
InChIInChI=1S/C14H32NO.BrH/c1-15(2,3)13-11-9-7-5-4-6-8-10-12-14-16;/h16H,4-14H2,1-3H3;1H/q+1;/p-1
InChIKeyULHKSJMZQFLKKO-UHFFFAOYSA-M
MW310.32 g/mol
LogP0.20
Rot. Bonds11

About 11-hydroxyundecyl(trimethyl)azanium bromide

11-hydroxyundecyl(trimethyl)azanium bromide (PubChem CID 10638682) has the molecular formula C14H32BrNO and a molecular weight of 310.32 g/mol. Its IUPAC name is 11-hydroxyundecyl(trimethyl)azanium bromide.

Molecular Properties

Compound Name11-hydroxyundecyl(trimethyl)azanium bromide
PubChem CID10638682
Molecular FormulaC14H32BrNO
Molecular Weight310.32 g/mol
Exact Mass309.17
IUPAC Name11-hydroxyundecyl(trimethyl)azanium bromide
SMILESC[N+](C)(C)CCCCCCCCCCCO.[Br-]
InChIInChI=1S/C14H32NO.BrH/c1-15(2,3)13-11-9-7-5-4-6-8-10-12-14-16;/h16H,4-14H2,1-3H3;1H/q+1;/p-1
InChIKeyULHKSJMZQFLKKO-UHFFFAOYSA-M
XLogP0.20
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.32
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 11-hydroxyundecyl(trimethyl)azanium bromide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 11-hydroxyundecyl(trimethyl)azanium bromide?
The IUPAC name of 11-hydroxyundecyl(trimethyl)azanium bromide (CID 10638682) is 11-hydroxyundecyl(trimethyl)azanium bromide.
What is the SMILES notation for 11-hydroxyundecyl(trimethyl)azanium bromide?
The canonical SMILES for 11-hydroxyundecyl(trimethyl)azanium bromide is C[N+](C)(C)CCCCCCCCCCCO.[Br-].
What is the InChIKey of 11-hydroxyundecyl(trimethyl)azanium bromide?
The InChIKey is ULHKSJMZQFLKKO-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H32NO.BrH/c1-15(2,3)13-11-9-7-5-4-6-8-10-12-14-16;/h16H,4-14H2,1-3H3;1H/q+1;/p-1.
What are the key properties of 11-hydroxyundecyl(trimethyl)azanium bromide?
11-hydroxyundecyl(trimethyl)azanium bromide has a molecular weight of 310.32 g/mol, XLogP of 0.20, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 11-hydroxyundecyl(trimethyl)azanium bromide is sourced from PubChem (CID 10638682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).