ethane;3-methylpentylalumane

C8H21Al — CID 174740596

IUPACethane;3-methylpentylalumane
SMILESCC.CCC(C)CC[AlH2]
InChIInChI=1S/C6H13.C2H6.Al.2H/c1-4-6(3)5-2;1-2;;;/h6H,1,4-5H2,2-3H3;1-2H3;;;
InChIKeyKFDVLYMWPSGBKI-UHFFFAOYSA-N
MW144.24 g/mol
LogP2.50
Rot. Bonds3

About ethane;3-methylpentylalumane

ethane;3-methylpentylalumane (PubChem CID 174740596) has the molecular formula C8H21Al and a molecular weight of 144.24 g/mol. Its IUPAC name is ethane;3-methylpentylalumane.

Molecular Properties

Compound Nameethane;3-methylpentylalumane
PubChem CID174740596
Molecular FormulaC8H21Al
Molecular Weight144.24 g/mol
Exact Mass144.15
IUPAC Nameethane;3-methylpentylalumane
SMILESCC.CCC(C)CC[AlH2]
InChIInChI=1S/C6H13.C2H6.Al.2H/c1-4-6(3)5-2;1-2;;;/h6H,1,4-5H2,2-3H3;1-2H3;;;
InChIKeyKFDVLYMWPSGBKI-UHFFFAOYSA-N
XLogP2.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.24
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3-methylhexylalumane;hydrochloride
CID 174725232
ethane;3-methylpentane
CID 91147782
ethane;3,6,7,10-tetramethyldodecane
CID 143901344
(3R,7R)-3,7-dimethylnonane
CID 42626759
3,6-dimethylnonane;ethane;3-methylpentane
CID 143978343
calcium;hydride;3-methylheptane
CID 174879723
3,5-dimethylheptane;ethane
CID 172617343
N,3-dimethylpentan-1-amine;ethane
CID 142089517
dibromo(3-methylpentyl)alumane
CID 150235679
2,5-dimethylheptane;propane
CID 145235091
(3R,6R)-3,6-dimethylnonane
CID 170848352
methane;3-methylpentane
CID 153359275

Frequently Asked Questions

What is the IUPAC name of ethane;3-methylpentylalumane?
The IUPAC name of ethane;3-methylpentylalumane (CID 174740596) is ethane;3-methylpentylalumane.
What is the SMILES notation for ethane;3-methylpentylalumane?
The canonical SMILES for ethane;3-methylpentylalumane is CC.CCC(C)CC[AlH2].
What is the InChIKey of ethane;3-methylpentylalumane?
The InChIKey is KFDVLYMWPSGBKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13.C2H6.Al.2H/c1-4-6(3)5-2;1-2;;;/h6H,1,4-5H2,2-3H3;1-2H3;;;.
What are the key properties of ethane;3-methylpentylalumane?
ethane;3-methylpentylalumane has a molecular weight of 144.24 g/mol, XLogP of 2.50, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methylpentylalumane is sourced from PubChem (CID 174740596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).