trioctylazanium perchlorate

C24H52ClNO4 — CID 87201807

IUPACtrioctylazanium perchlorate
SMILESCCCCCCCC[NH+](CCCCCCCC)CCCCCCCC.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C24H51N.ClHO4/c1-4-7-10-13-16-19-22-25(23-20-17-14-11-8-5-2)24-21-18-15-12-9-6-3;2-1(3,4)5/h4-24H2,1-3H3;(H,2,3,4,5)
InChIKeyPQCDODDQLNVOID-UHFFFAOYSA-N
MW454.14 g/mol
LogP2.20
Rot. Bonds21

About trioctylazanium perchlorate

trioctylazanium perchlorate (PubChem CID 87201807) has the molecular formula C24H52ClNO4 and a molecular weight of 454.14 g/mol. Its IUPAC name is trioctylazanium perchlorate.

Molecular Properties

Compound Nametrioctylazanium perchlorate
PubChem CID87201807
Molecular FormulaC24H52ClNO4
Molecular Weight454.14 g/mol
Exact Mass453.36
IUPAC Nametrioctylazanium perchlorate
SMILESCCCCCCCC[NH+](CCCCCCCC)CCCCCCCC.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C24H51N.ClHO4/c1-4-7-10-13-16-19-22-25(23-20-17-14-11-8-5-2)24-21-18-15-12-9-6-3;2-1(3,4)5/h4-24H2,1-3H3;(H,2,3,4,5)
InChIKeyPQCDODDQLNVOID-UHFFFAOYSA-N
XLogP2.20
TPSA96.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds21
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.14
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze trioctylazanium perchlorate 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 trioctylazanium perchlorate?
The IUPAC name of trioctylazanium perchlorate (CID 87201807) is trioctylazanium perchlorate.
What is the SMILES notation for trioctylazanium perchlorate?
The canonical SMILES for trioctylazanium perchlorate is CCCCCCCC[NH+](CCCCCCCC)CCCCCCCC.[O-][Cl+3]([O-])([O-])[O-].
What is the InChIKey of trioctylazanium perchlorate?
The InChIKey is PQCDODDQLNVOID-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H51N.ClHO4/c1-4-7-10-13-16-19-22-25(23-20-17-14-11-8-5-2)24-21-18-15-12-9-6-3;2-1(3,4)5/h4-24H2,1-3H3;(H,2,3,4,5).
What are the key properties of trioctylazanium perchlorate?
trioctylazanium perchlorate has a molecular weight of 454.14 g/mol, XLogP of 2.20, 21 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trioctylazanium perchlorate is sourced from PubChem (CID 87201807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).