dichloro(2-methylbutyl)alumane

C5H11AlCl2 — CID 12705539

IUPACdichloro(2-methylbutyl)alumane
SMILESCCC(C)C[Al](Cl)Cl
InChIInChI=1S/C5H11.Al.2ClH/c1-4-5(2)3;;;/h5H,2,4H2,1,3H3;;2*1H/q;+2;;/p-2
InChIKeyYGTBFMQPQIYEDU-UHFFFAOYSA-L
MW169.03 g/mol
LogP3.00
Rot. Bonds3

About dichloro(2-methylbutyl)alumane

dichloro(2-methylbutyl)alumane (PubChem CID 12705539) has the molecular formula C5H11AlCl2 and a molecular weight of 169.03 g/mol. Its IUPAC name is dichloro(2-methylbutyl)alumane.

Molecular Properties

Compound Namedichloro(2-methylbutyl)alumane
PubChem CID12705539
Molecular FormulaC5H11AlCl2
Molecular Weight169.03 g/mol
Exact Mass168.01
IUPAC Namedichloro(2-methylbutyl)alumane
SMILESCCC(C)C[Al](Cl)Cl
InChIInChI=1S/C5H11.Al.2ClH/c1-4-5(2)3;;;/h5H,2,4H2,1,3H3;;2*1H/q;+2;;/p-2
InChIKeyYGTBFMQPQIYEDU-UHFFFAOYSA-L
XLogP3.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.03
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

chloro-bis(2-methylbutyl)alumane
CID 12705533
methane;3-methylpentane
CID 153359275
3-methylpentane;propane
CID 123266773
3-methylpentane;hydrate
CID 144914279
methane;3-methylpentane
CID 157218592
ethane;3-methylpentane
CID 91147782
2-chloro-4-methylhex-1-ene
CID 15153636
3,5-dimethylheptane;ethane
CID 172617343
dichloro(2-methylbutyl)borane
CID 119096300
chloro-dimethyl-(2-methylbutyl)silane
CID 53422843
2-methylbutane-1-tellurol
CID 174450990
(2S)-2-methylbutane-1-selenol
CID 175184280

Frequently Asked Questions

What is the IUPAC name of dichloro(2-methylbutyl)alumane?
The IUPAC name of dichloro(2-methylbutyl)alumane (CID 12705539) is dichloro(2-methylbutyl)alumane.
What is the SMILES notation for dichloro(2-methylbutyl)alumane?
The canonical SMILES for dichloro(2-methylbutyl)alumane is CCC(C)C[Al](Cl)Cl.
What is the InChIKey of dichloro(2-methylbutyl)alumane?
The InChIKey is YGTBFMQPQIYEDU-UHFFFAOYSA-L. The full InChI is InChI=1S/C5H11.Al.2ClH/c1-4-5(2)3;;;/h5H,2,4H2,1,3H3;;2*1H/q;+2;;/p-2.
What are the key properties of dichloro(2-methylbutyl)alumane?
dichloro(2-methylbutyl)alumane has a molecular weight of 169.03 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dichloro(2-methylbutyl)alumane is sourced from PubChem (CID 12705539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).