CID 88819610

C20H43AlF2 — CID 88819610

IUPAC—
SMILESCCCCCCCCCCCCCCCCCCCC[Al].F.F
InChIInChI=1S/C20H41.Al.2FH/c1-3-5-7-9-11-13-15-17-19-20-18-16-14-12-10-8-6-4-2;;;/h1,3-20H2,2H3;;2*1H
InChIKeyVHRIMZYXHXGUFM-UHFFFAOYSA-N
MW348.54 g/mol
LogP7.92
Rot. Bonds18

About CID 88819610

CID 88819610 (PubChem CID 88819610) has the molecular formula C20H43AlF2 and a molecular weight of 348.54 g/mol.

Molecular Properties

Compound NameCID 88819610
PubChem CID88819610
Molecular FormulaC20H43AlF2
Molecular Weight348.54 g/mol
Exact Mass348.31
IUPAC Name—
SMILESCCCCCCCCCCCCCCCCCCCC[Al].F.F
InChIInChI=1S/C20H41.Al.2FH/c1-3-5-7-9-11-13-15-17-19-20-18-16-14-12-10-8-6-4-2;;;/h1,3-20H2,2H3;;2*1H
InChIKeyVHRIMZYXHXGUFM-UHFFFAOYSA-N
XLogP7.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds18
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.54
LogP ≤ 57.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze CID 88819610 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

CID 87101515
CID 87101515
CID 88623625
CID 88623625
iodomethane;octadecane
CID 174964097
hexadecane;pentadecane
CID 159687875
dooctacontane
CID 522649
hexacosane;octacosane
CID 158944700
bis(decane);hexane
CID 158666782
decane;heptane
CID 159049036
henoctacontane
CID 22086342
CID 161246447
CID 161246447
triacontane
CID 12535
dictane
CID 19848341

Frequently Asked Questions

What is the IUPAC name of CID 88819610?
The IUPAC name of CID 88819610 (CID 88819610) is not available.
What is the SMILES notation for CID 88819610?
The canonical SMILES for CID 88819610 is CCCCCCCCCCCCCCCCCCCC[Al].F.F.
What is the InChIKey of CID 88819610?
The InChIKey is VHRIMZYXHXGUFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H41.Al.2FH/c1-3-5-7-9-11-13-15-17-19-20-18-16-14-12-10-8-6-4-2;;;/h1,3-20H2,2H3;;2*1H.
What are the key properties of CID 88819610?
CID 88819610 has a molecular weight of 348.54 g/mol, XLogP of 7.92, 18 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 88819610 is sourced from PubChem (CID 88819610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).