2-hydroxydodecyl(3-methoxypropyl)azanium chloride

C16H36ClNO2 — CID 110189750

IUPAC2-hydroxydodecyl(3-methoxypropyl)azanium chloride
SMILESCCCCCCCCCCC(O)C[NH2+]CCCOC.[Cl-]
InChIInChI=1S/C16H35NO2.ClH/c1-3-4-5-6-7-8-9-10-12-16(18)15-17-13-11-14-19-2;/h16-18H,3-15H2,1-2H3;1H
InChIKeyOXNSEUPXZANLHI-UHFFFAOYSA-N
MW309.92 g/mol
LogP-0.52
Rot. Bonds15

About 2-hydroxydodecyl(3-methoxypropyl)azanium chloride

2-hydroxydodecyl(3-methoxypropyl)azanium chloride (PubChem CID 110189750) has the molecular formula C16H36ClNO2 and a molecular weight of 309.92 g/mol. Its IUPAC name is 2-hydroxydodecyl(3-methoxypropyl)azanium chloride.

Molecular Properties

Compound Name2-hydroxydodecyl(3-methoxypropyl)azanium chloride
PubChem CID110189750
Molecular FormulaC16H36ClNO2
Molecular Weight309.92 g/mol
Exact Mass309.24
IUPAC Name2-hydroxydodecyl(3-methoxypropyl)azanium chloride
SMILESCCCCCCCCCCC(O)C[NH2+]CCCOC.[Cl-]
InChIInChI=1S/C16H35NO2.ClH/c1-3-4-5-6-7-8-9-10-12-16(18)15-17-13-11-14-19-2;/h16-18H,3-15H2,1-2H3;1H
InChIKeyOXNSEUPXZANLHI-UHFFFAOYSA-N
XLogP-0.52
TPSA46.07 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.92
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-methoxy-8,14,20-trimethylnonacosane
CID 155293079
1-[2-(2-methoxyethoxy)ethoxy]octan-2-ol
CID 150741605
2-hydroxyoctadecyl(oxido)azanium
CID 88638350
2-hydroxytetradecyl(oxido)azanium
CID 87719559
(7R)-hexatriacontan-7-ol
CID 88529159
nonacosane-7,20-diol
CID 174949468
tetracosan-6-ol
CID 154265400
tetratetracontan-22-ol
CID 91434437
icosan-6-ol
CID 19931277
hexatriacontan-17-ol
CID 3020851
octacosan-10-ol
CID 22568705
icosan-9-ol
CID 11983377

Frequently Asked Questions

What is the IUPAC name of 2-hydroxydodecyl(3-methoxypropyl)azanium chloride?
The IUPAC name of 2-hydroxydodecyl(3-methoxypropyl)azanium chloride (CID 110189750) is 2-hydroxydodecyl(3-methoxypropyl)azanium chloride.
What is the SMILES notation for 2-hydroxydodecyl(3-methoxypropyl)azanium chloride?
The canonical SMILES for 2-hydroxydodecyl(3-methoxypropyl)azanium chloride is CCCCCCCCCCC(O)C[NH2+]CCCOC.[Cl-].
What is the InChIKey of 2-hydroxydodecyl(3-methoxypropyl)azanium chloride?
The InChIKey is OXNSEUPXZANLHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35NO2.ClH/c1-3-4-5-6-7-8-9-10-12-16(18)15-17-13-11-14-19-2;/h16-18H,3-15H2,1-2H3;1H.
What are the key properties of 2-hydroxydodecyl(3-methoxypropyl)azanium chloride?
2-hydroxydodecyl(3-methoxypropyl)azanium chloride has a molecular weight of 309.92 g/mol, XLogP of -0.52, 15 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxydodecyl(3-methoxypropyl)azanium chloride is sourced from PubChem (CID 110189750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).