CID 88623625

C16H35AlCl2 — CID 88623625

IUPAC—
SMILESCCCCCCCCCCCCCCCC[Al].Cl.Cl
InChIInChI=1S/C16H33.Al.2ClH/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2;;;/h1,3-16H2,2H3;;2*1H
InChIKeyLFJDYMDIPGJNRM-UHFFFAOYSA-N
MW325.34 g/mol
LogP6.90
Rot. Bonds14

About CID 88623625

CID 88623625 (PubChem CID 88623625) has the molecular formula C16H35AlCl2 and a molecular weight of 325.34 g/mol.

Molecular Properties

Compound NameCID 88623625
PubChem CID88623625
Molecular FormulaC16H35AlCl2
Molecular Weight325.34 g/mol
Exact Mass324.19
IUPAC Name—
SMILESCCCCCCCCCCCCCCCC[Al].Cl.Cl
InChIInChI=1S/C16H33.Al.2ClH/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2;;;/h1,3-16H2,2H3;;2*1H
InChIKeyLFJDYMDIPGJNRM-UHFFFAOYSA-N
XLogP6.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.34
LogP ≤ 56.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze CID 88623625 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 88819610
CID 88819610
icosane;tetrahydrochloride
CID 143212018
bis(heptane);hydrochloride
CID 160833718
pentacosane;hydrochloride
CID 172714496
nonadecane;hydrochloride
CID 172821128
methane;octane;dihydrochloride
CID 174397937
heptane;silane;trihydrochloride
CID 173470147
azane;tritriacontane;hydrochloride
CID 174841743
bis(octane);silane;dihydrochloride
CID 173470119
heptane;phosphane;trihydrochloride
CID 175501735
dodecane;phosphane;dihydrochloride
CID 173449681

Frequently Asked Questions

What is the IUPAC name of CID 88623625?
The IUPAC name of CID 88623625 (CID 88623625) is not available.
What is the SMILES notation for CID 88623625?
The canonical SMILES for CID 88623625 is CCCCCCCCCCCCCCCC[Al].Cl.Cl.
What is the InChIKey of CID 88623625?
The InChIKey is LFJDYMDIPGJNRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33.Al.2ClH/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2;;;/h1,3-16H2,2H3;;2*1H.
What are the key properties of CID 88623625?
CID 88623625 has a molecular weight of 325.34 g/mol, XLogP of 6.90, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 88623625 is sourced from PubChem (CID 88623625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).