3-methylhexylalumane;hydrochloride

C7H18AlCl — CID 174725232

IUPAC3-methylhexylalumane;hydrochloride
SMILESCCCC(C)CC[AlH2].Cl
InChIInChI=1S/C7H15.Al.ClH.2H/c1-4-6-7(3)5-2;;;;/h7H,2,4-6H2,1,3H3;;1H;;
InChIKeyCXLRDNVVTWXUKN-UHFFFAOYSA-N
MW164.66 g/mol
LogP2.29
Rot. Bonds4

About 3-methylhexylalumane;hydrochloride

3-methylhexylalumane;hydrochloride (PubChem CID 174725232) has the molecular formula C7H18AlCl and a molecular weight of 164.66 g/mol. Its IUPAC name is 3-methylhexylalumane;hydrochloride.

Molecular Properties

Compound Name3-methylhexylalumane;hydrochloride
PubChem CID174725232
Molecular FormulaC7H18AlCl
Molecular Weight164.66 g/mol
Exact Mass164.09
IUPAC Name3-methylhexylalumane;hydrochloride
SMILESCCCC(C)CC[AlH2].Cl
InChIInChI=1S/C7H15.Al.ClH.2H/c1-4-6-7(3)5-2;;;;/h7H,2,4-6H2,1,3H3;;1H;;
InChIKeyCXLRDNVVTWXUKN-UHFFFAOYSA-N
XLogP2.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.66
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-methylheptane
CID 91413347
4-methylheptane
CID 11512
4-methylheptane;propane
CID 142171269
acetylene;4-methylheptane
CID 143164229
ethane;3-methylpentylalumane
CID 174740596
4-methylheptane;pentane
CID 142501546
(3R,6R)-3,6-dimethylnonane
CID 170848352
4,7,7,10-tetramethyltridecane
CID 123261465
4,4-dimethylheptane;methane;4-methylheptane
CID 159758574
(4S)-4-methyltridecane
CID 24884428
bis(3-methylhexyl)alumanylium
CID 90200144
3,6-dimethylnonane;ethane;3-methylpentane
CID 143978343

Frequently Asked Questions

What is the IUPAC name of 3-methylhexylalumane;hydrochloride?
The IUPAC name of 3-methylhexylalumane;hydrochloride (CID 174725232) is 3-methylhexylalumane;hydrochloride.
What is the SMILES notation for 3-methylhexylalumane;hydrochloride?
The canonical SMILES for 3-methylhexylalumane;hydrochloride is CCCC(C)CC[AlH2].Cl.
What is the InChIKey of 3-methylhexylalumane;hydrochloride?
The InChIKey is CXLRDNVVTWXUKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15.Al.ClH.2H/c1-4-6-7(3)5-2;;;;/h7H,2,4-6H2,1,3H3;;1H;;.
What are the key properties of 3-methylhexylalumane;hydrochloride?
3-methylhexylalumane;hydrochloride has a molecular weight of 164.66 g/mol, XLogP of 2.29, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylhexylalumane;hydrochloride is sourced from PubChem (CID 174725232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).