bis(2-methylpropyl)alumane;1,2-dichloroethane

C10H23AlCl2 — CID 160516932

IUPACbis(2-methylpropyl)alumane;1,2-dichloroethane
SMILESCC(C)C[AlH]CC(C)C.ClCCCl
InChIInChI=1S/2C4H9.C2H4Cl2.Al.H/c2*1-4(2)3;3-1-2-4;;/h2*4H,1H2,2-3H3;1-2H2;;
InChIKeyZIEACBMNKVHRSI-UHFFFAOYSA-N
MW241.18 g/mol
LogP4.04
Rot. Bonds5

About bis(2-methylpropyl)alumane;1,2-dichloroethane

bis(2-methylpropyl)alumane;1,2-dichloroethane (PubChem CID 160516932) has the molecular formula C10H23AlCl2 and a molecular weight of 241.18 g/mol. Its IUPAC name is bis(2-methylpropyl)alumane;1,2-dichloroethane.

Molecular Properties

Compound Namebis(2-methylpropyl)alumane;1,2-dichloroethane
PubChem CID160516932
Molecular FormulaC10H23AlCl2
Molecular Weight241.18 g/mol
Exact Mass240.10
IUPAC Namebis(2-methylpropyl)alumane;1,2-dichloroethane
SMILESCC(C)C[AlH]CC(C)C.ClCCCl
InChIInChI=1S/2C4H9.C2H4Cl2.Al.H/c2*1-4(2)3;3-1-2-4;;/h2*4H,1H2,2-3H3;1-2H2;;
InChIKeyZIEACBMNKVHRSI-UHFFFAOYSA-N
XLogP4.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.18
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

CID 160990306
CID 160990306
bis(1,1-dichloroethane);bis(1,2-dichloroethane)
CID 175329145
1-chloro-3-methylbutane;hydrochloride
CID 172682521
1-(2-chloroethylsulfanyl)-2-methylpropane
CID 19883756
1,2-dibromoethane;1,1-dichloroethane;1,2-dichloroethane
CID 161263882
1-chloro-2-methylpropane;methanol
CID 88619830
tert-butyl(2-methylpropyl)alumane
CID 135050720
1,1-dichloroethane;1,2-dichloroethane;hexane
CID 175301802
(1,2-dichloroethane);(dichloromethane)
CID 173324905
1,2-dichloroethane;platinum
CID 159627340
1-chloro-2-methylpropane;N-methylmethanamine
CID 175109198
hydride;tris(2-methylpropyl)stannane
CID 175158031

Frequently Asked Questions

What is the IUPAC name of bis(2-methylpropyl)alumane;1,2-dichloroethane?
The IUPAC name of bis(2-methylpropyl)alumane;1,2-dichloroethane (CID 160516932) is bis(2-methylpropyl)alumane;1,2-dichloroethane.
What is the SMILES notation for bis(2-methylpropyl)alumane;1,2-dichloroethane?
The canonical SMILES for bis(2-methylpropyl)alumane;1,2-dichloroethane is CC(C)C[AlH]CC(C)C.ClCCCl.
What is the InChIKey of bis(2-methylpropyl)alumane;1,2-dichloroethane?
The InChIKey is ZIEACBMNKVHRSI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H9.C2H4Cl2.Al.H/c2*1-4(2)3;3-1-2-4;;/h2*4H,1H2,2-3H3;1-2H2;;.
What are the key properties of bis(2-methylpropyl)alumane;1,2-dichloroethane?
bis(2-methylpropyl)alumane;1,2-dichloroethane has a molecular weight of 241.18 g/mol, XLogP of 4.04, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-methylpropyl)alumane;1,2-dichloroethane is sourced from PubChem (CID 160516932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).