docos-13-enyl(oxido)azanium

C22H45NO — CID 173065325

IUPACdocos-13-enyl(oxido)azanium
SMILESCCCCCCCCC=CCCCCCCCCCCCC[NH2+][O-]
InChIInChI=1S/C22H45NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24/h9-10H,2-8,11-23H2,1H3
InChIKeyRWZHOCHIISGDLS-UHFFFAOYSA-N
MW339.61 g/mol
LogP6.65
Rot. Bonds20

About docos-13-enyl(oxido)azanium

docos-13-enyl(oxido)azanium (PubChem CID 173065325) has the molecular formula C22H45NO and a molecular weight of 339.61 g/mol. Its IUPAC name is docos-13-enyl(oxido)azanium.

Molecular Properties

Compound Namedocos-13-enyl(oxido)azanium
PubChem CID173065325
Molecular FormulaC22H45NO
Molecular Weight339.61 g/mol
Exact Mass339.35
IUPAC Namedocos-13-enyl(oxido)azanium
SMILESCCCCCCCCC=CCCCCCCCCCCCC[NH2+][O-]
InChIInChI=1S/C22H45NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24/h9-10H,2-8,11-23H2,1H3
InChIKeyRWZHOCHIISGDLS-UHFFFAOYSA-N
XLogP6.65
TPSA39.67 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds20
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.61
LogP ≤ 56.65
H-Bond Donors ≤ 51
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

dotriacontyl(oxido)azanium
CID 141095067
(24Z)-hexatriaconta-9,24-diene
CID 173127472
(E)-hexadec-6-ene
CID 5352260
(Z)-docos-9-ene
CID 11690102
(E)-hexacos-10-ene
CID 22172169
(E)-nonacos-10-ene
CID 14367300
tetratriacont-8-ene
CID 123670593
(E)-icos-10-ene
CID 10468895
heptatriacont-13-ene
CID 71378710
(E)-docos-6-ene
CID 22172020
triacont-12-ene
CID 54535715
(Z)-octadec-6-ene
CID 5352239

Frequently Asked Questions

What is the IUPAC name of docos-13-enyl(oxido)azanium?
The IUPAC name of docos-13-enyl(oxido)azanium (CID 173065325) is docos-13-enyl(oxido)azanium.
What is the SMILES notation for docos-13-enyl(oxido)azanium?
The canonical SMILES for docos-13-enyl(oxido)azanium is CCCCCCCCC=CCCCCCCCCCCCC[NH2+][O-].
What is the InChIKey of docos-13-enyl(oxido)azanium?
The InChIKey is RWZHOCHIISGDLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H45NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24/h9-10H,2-8,11-23H2,1H3.
What are the key properties of docos-13-enyl(oxido)azanium?
docos-13-enyl(oxido)azanium has a molecular weight of 339.61 g/mol, XLogP of 6.65, 20 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for docos-13-enyl(oxido)azanium is sourced from PubChem (CID 173065325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).