carbanide;dichloroalumanylium

CH3AlCl2 — CID 6101667

IUPACcarbanide;dichloroalumanylium
SMILESCl[Al+]Cl.[CH3-]
InChIInChI=1S/CH3.Al.2ClH/h1H3;;2*1H/q-1;+3;;/p-2
InChIKeyIYIMDBFPUIXMJD-UHFFFAOYSA-L
MW112.92 g/mol
LogP1.45
Rot. Bonds

About carbanide;dichloroalumanylium

carbanide;dichloroalumanylium (PubChem CID 6101667) has the molecular formula CH3AlCl2 and a molecular weight of 112.92 g/mol. Its IUPAC name is carbanide;dichloroalumanylium.

Molecular Properties

Compound Namecarbanide;dichloroalumanylium
PubChem CID6101667
Molecular FormulaCH3AlCl2
Molecular Weight112.92 g/mol
Exact Mass111.94
IUPAC Namecarbanide;dichloroalumanylium
SMILESCl[Al+]Cl.[CH3-]
InChIInChI=1S/CH3.Al.2ClH/h1H3;;2*1H/q-1;+3;;/p-2
InChIKeyIYIMDBFPUIXMJD-UHFFFAOYSA-L
XLogP1.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.92
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of carbanide;dichloroalumanylium?
The IUPAC name of carbanide;dichloroalumanylium (CID 6101667) is carbanide;dichloroalumanylium.
What is the SMILES notation for carbanide;dichloroalumanylium?
The canonical SMILES for carbanide;dichloroalumanylium is Cl[Al+]Cl.[CH3-].
What is the InChIKey of carbanide;dichloroalumanylium?
The InChIKey is IYIMDBFPUIXMJD-UHFFFAOYSA-L. The full InChI is InChI=1S/CH3.Al.2ClH/h1H3;;2*1H/q-1;+3;;/p-2.
What are the key properties of carbanide;dichloroalumanylium?
carbanide;dichloroalumanylium has a molecular weight of 112.92 g/mol, XLogP of 1.45, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;dichloroalumanylium is sourced from PubChem (CID 6101667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).