lithium tetrakis(3-methylpentyl)alumanuide

C24H52AlLi — CID 135050487

IUPAClithium tetrakis(3-methylpentyl)alumanuide
SMILESCCC(C)CC[Al-](CCC(C)CC)(CCC(C)CC)CCC(C)CC.[Li+]
InChIInChI=1S/4C6H13.Al.Li/c4*1-4-6(3)5-2;;/h4*6H,1,4-5H2,2-3H3;;/q;;;;-1;+1
InChIKeyVLOKUBBBNJOLAI-UHFFFAOYSA-N
MW374.60 g/mol
LogP6.18
Rot. Bonds16

About lithium tetrakis(3-methylpentyl)alumanuide

lithium tetrakis(3-methylpentyl)alumanuide (PubChem CID 135050487) has the molecular formula C24H52AlLi and a molecular weight of 374.60 g/mol. Its IUPAC name is lithium tetrakis(3-methylpentyl)alumanuide.

Molecular Properties

Compound Namelithium tetrakis(3-methylpentyl)alumanuide
PubChem CID135050487
Molecular FormulaC24H52AlLi
Molecular Weight374.60 g/mol
Exact Mass374.40
IUPAC Namelithium tetrakis(3-methylpentyl)alumanuide
SMILESCCC(C)CC[Al-](CCC(C)CC)(CCC(C)CC)CCC(C)CC.[Li+]
InChIInChI=1S/4C6H13.Al.Li/c4*1-4-6(3)5-2;;/h4*6H,1,4-5H2,2-3H3;;/q;;;;-1;+1
InChIKeyVLOKUBBBNJOLAI-UHFFFAOYSA-N
XLogP6.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds16
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.60
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(3R,7R)-3,7-dimethylnonane
CID 42626759
3,5-dimethylheptane;3,4-dimethylhexane;3,6-dimethyloctane
CID 161182355
3,5-dimethylheptane;ethane
CID 172617343
3,5,7,10,12-pentamethyltetradecane
CID 59582352
2,5-dimethylheptane;propane
CID 145235091
ethane;3,6,7,10-tetramethyldodecane
CID 143901344
(3R,6R)-3,6-dimethylnonane
CID 170848352
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

Frequently Asked Questions

What is the IUPAC name of lithium tetrakis(3-methylpentyl)alumanuide?
The IUPAC name of lithium tetrakis(3-methylpentyl)alumanuide (CID 135050487) is lithium tetrakis(3-methylpentyl)alumanuide.
What is the SMILES notation for lithium tetrakis(3-methylpentyl)alumanuide?
The canonical SMILES for lithium tetrakis(3-methylpentyl)alumanuide is CCC(C)CC[Al-](CCC(C)CC)(CCC(C)CC)CCC(C)CC.[Li+].
What is the InChIKey of lithium tetrakis(3-methylpentyl)alumanuide?
The InChIKey is VLOKUBBBNJOLAI-UHFFFAOYSA-N. The full InChI is InChI=1S/4C6H13.Al.Li/c4*1-4-6(3)5-2;;/h4*6H,1,4-5H2,2-3H3;;/q;;;;-1;+1.
What are the key properties of lithium tetrakis(3-methylpentyl)alumanuide?
lithium tetrakis(3-methylpentyl)alumanuide has a molecular weight of 374.60 g/mol, XLogP of 6.18, 16 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for lithium tetrakis(3-methylpentyl)alumanuide is sourced from PubChem (CID 135050487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).