methane;prop-2-enylalumane;hydrochloride

C4H12AlCl — CID 175477352

IUPACmethane;prop-2-enylalumane;hydrochloride
SMILESC.C=CC[AlH2].Cl
InChIInChI=1S/C3H5.CH4.Al.ClH.2H/c1-3-2;;;;;/h3H,1-2H2;1H4;;1H;;
InChIKeySLXNVFDSDMDZFR-UHFFFAOYSA-N
MW122.57 g/mol
LogP1.28
Rot. Bonds1

About methane;prop-2-enylalumane;hydrochloride

methane;prop-2-enylalumane;hydrochloride (PubChem CID 175477352) has the molecular formula C4H12AlCl and a molecular weight of 122.57 g/mol. Its IUPAC name is methane;prop-2-enylalumane;hydrochloride.

Molecular Properties

Compound Namemethane;prop-2-enylalumane;hydrochloride
PubChem CID175477352
Molecular FormulaC4H12AlCl
Molecular Weight122.57 g/mol
Exact Mass122.04
IUPAC Namemethane;prop-2-enylalumane;hydrochloride
SMILESC.C=CC[AlH2].Cl
InChIInChI=1S/C3H5.CH4.Al.ClH.2H/c1-3-2;;;;;/h3H,1-2H2;1H4;;1H;;
InChIKeySLXNVFDSDMDZFR-UHFFFAOYSA-N
XLogP1.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.57
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of methane;prop-2-enylalumane;hydrochloride?
The IUPAC name of methane;prop-2-enylalumane;hydrochloride (CID 175477352) is methane;prop-2-enylalumane;hydrochloride.
What is the SMILES notation for methane;prop-2-enylalumane;hydrochloride?
The canonical SMILES for methane;prop-2-enylalumane;hydrochloride is C.C=CC[AlH2].Cl.
What is the InChIKey of methane;prop-2-enylalumane;hydrochloride?
The InChIKey is SLXNVFDSDMDZFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5.CH4.Al.ClH.2H/c1-3-2;;;;;/h3H,1-2H2;1H4;;1H;;.
What are the key properties of methane;prop-2-enylalumane;hydrochloride?
methane;prop-2-enylalumane;hydrochloride has a molecular weight of 122.57 g/mol, XLogP of 1.28, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methane;prop-2-enylalumane;hydrochloride is sourced from PubChem (CID 175477352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).