alumane;2-chloroethenylbenzene;hydrate

C8H12AlClO — CID 174614142

IUPACalumane;2-chloroethenylbenzene;hydrate
SMILESClC=Cc1ccccc1.O.[AlH3]
InChIInChI=1S/C8H7Cl.Al.H2O.3H/c9-7-6-8-4-2-1-3-5-8;;;;;/h1-7H;;1H2;;;
InChIKeyWGCMKVKJWJATLD-UHFFFAOYSA-N
MW186.62 g/mol
LogP0.89
Rot. Bonds1

About alumane;2-chloroethenylbenzene;hydrate

alumane;2-chloroethenylbenzene;hydrate (PubChem CID 174614142) has the molecular formula C8H12AlClO and a molecular weight of 186.62 g/mol. Its IUPAC name is alumane;2-chloroethenylbenzene;hydrate.

Molecular Properties

Compound Namealumane;2-chloroethenylbenzene;hydrate
PubChem CID174614142
Molecular FormulaC8H12AlClO
Molecular Weight186.62 g/mol
Exact Mass186.04
IUPAC Namealumane;2-chloroethenylbenzene;hydrate
SMILESClC=Cc1ccccc1.O.[AlH3]
InChIInChI=1S/C8H7Cl.Al.H2O.3H/c9-7-6-8-4-2-1-3-5-8;;;;;/h1-7H;;1H2;;;
InChIKeyWGCMKVKJWJATLD-UHFFFAOYSA-N
XLogP0.89
TPSA31.50 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.62
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze alumane;2-chloroethenylbenzene;hydrate 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-chloroethenylbenzene;copper
CID 174819686
2-chloroethenylbenzene;methanol
CID 159831331
alumane;2-chloroethenylbenzene;iron;sulfuric acid
CID 174622645
2-chloroethenylbenzene;2-methylprop-1-ene
CID 174753636
1-chloro-4-ethenylbenzene;2-chloroethenylbenzene
CID 158705865
2-chloroethenylbenzene;prop-2-enamide
CID 160803548
4-[(E)-2-chloroethenyl]-N-phenylaniline
CID 22717025
1-chloro-2-ethenylbenzene;2-chloroethenylbenzene
CID 161200369
CID 70567885
CID 70567885
CID 70569152
CID 70569152
2-chloroethenylbenzene;2,6-dimethylpiperidine
CID 174658735
4-phenylbuta-1,3-dienylbenzene
CID 162273071

Frequently Asked Questions

What is the IUPAC name of alumane;2-chloroethenylbenzene;hydrate?
The IUPAC name of alumane;2-chloroethenylbenzene;hydrate (CID 174614142) is alumane;2-chloroethenylbenzene;hydrate.
What is the SMILES notation for alumane;2-chloroethenylbenzene;hydrate?
The canonical SMILES for alumane;2-chloroethenylbenzene;hydrate is ClC=Cc1ccccc1.O.[AlH3].
What is the InChIKey of alumane;2-chloroethenylbenzene;hydrate?
The InChIKey is WGCMKVKJWJATLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Cl.Al.H2O.3H/c9-7-6-8-4-2-1-3-5-8;;;;;/h1-7H;;1H2;;;.
What are the key properties of alumane;2-chloroethenylbenzene;hydrate?
alumane;2-chloroethenylbenzene;hydrate has a molecular weight of 186.62 g/mol, XLogP of 0.89, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for alumane;2-chloroethenylbenzene;hydrate is sourced from PubChem (CID 174614142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).