2-hydroxyoctadecyl(oxido)azanium

C18H39NO2 — CID 88638350

IUPAC2-hydroxyoctadecyl(oxido)azanium
SMILESCCCCCCCCCCCCCCCCC(O)C[NH2+][O-]
InChIInChI=1S/C18H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(20)17-19-21/h18,20H,2-17,19H2,1H3
InChIKeyXOHZGFCVDWFCAV-UHFFFAOYSA-N
MW301.52 g/mol
LogP4.28
Rot. Bonds17

About 2-hydroxyoctadecyl(oxido)azanium

2-hydroxyoctadecyl(oxido)azanium (PubChem CID 88638350) has the molecular formula C18H39NO2 and a molecular weight of 301.52 g/mol. Its IUPAC name is 2-hydroxyoctadecyl(oxido)azanium.

Molecular Properties

Compound Name2-hydroxyoctadecyl(oxido)azanium
PubChem CID88638350
Molecular FormulaC18H39NO2
Molecular Weight301.52 g/mol
Exact Mass301.30
IUPAC Name2-hydroxyoctadecyl(oxido)azanium
SMILESCCCCCCCCCCCCCCCCC(O)C[NH2+][O-]
InChIInChI=1S/C18H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(20)17-19-21/h18,20H,2-17,19H2,1H3
InChIKeyXOHZGFCVDWFCAV-UHFFFAOYSA-N
XLogP4.28
TPSA59.90 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.52
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-hydroxyoctadecyl(oxido)azanium with MolForge

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

Launch Full Analysis

Related Compounds

2-hydroxytetradecyl(oxido)azanium
CID 87719559
nonacosane-7,20-diol
CID 174949468
(7R)-hexatriacontan-7-ol
CID 88529159
icosan-9-ol
CID 11983377
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
2-dodecyltetradecyl(oxido)azanium
CID 139671131
(5S)-octadecan-5-ol
CID 98231191
tritetracontan-5-ol
CID 162898528

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyoctadecyl(oxido)azanium?
The IUPAC name of 2-hydroxyoctadecyl(oxido)azanium (CID 88638350) is 2-hydroxyoctadecyl(oxido)azanium.
What is the SMILES notation for 2-hydroxyoctadecyl(oxido)azanium?
The canonical SMILES for 2-hydroxyoctadecyl(oxido)azanium is CCCCCCCCCCCCCCCCC(O)C[NH2+][O-].
What is the InChIKey of 2-hydroxyoctadecyl(oxido)azanium?
The InChIKey is XOHZGFCVDWFCAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(20)17-19-21/h18,20H,2-17,19H2,1H3.
What are the key properties of 2-hydroxyoctadecyl(oxido)azanium?
2-hydroxyoctadecyl(oxido)azanium has a molecular weight of 301.52 g/mol, XLogP of 4.28, 17 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyoctadecyl(oxido)azanium is sourced from PubChem (CID 88638350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).