bis(2-methylpropyl)alumanylium;heptane;hydride

C15H35Al — CID 173374934

IUPACbis(2-methylpropyl)alumanylium;heptane;hydride
SMILESCC(C)C[Al+]CC(C)C.CCCCCCC.[H-]
InChIInChI=1S/C7H16.2C4H9.Al.H/c1-3-5-7-6-4-2;2*1-4(2)3;;/h3-7H2,1-2H3;2*4H,1H2,2-3H3;;/q;;;+1;-1
InChIKeyFBKBHMUKMJUMBW-UHFFFAOYSA-N
MW242.43 g/mol
LogP5.93
Rot. Bonds8

About bis(2-methylpropyl)alumanylium;heptane;hydride

bis(2-methylpropyl)alumanylium;heptane;hydride (PubChem CID 173374934) has the molecular formula C15H35Al and a molecular weight of 242.43 g/mol. Its IUPAC name is bis(2-methylpropyl)alumanylium;heptane;hydride.

Molecular Properties

Compound Namebis(2-methylpropyl)alumanylium;heptane;hydride
PubChem CID173374934
Molecular FormulaC15H35Al
Molecular Weight242.43 g/mol
Exact Mass242.26
IUPAC Namebis(2-methylpropyl)alumanylium;heptane;hydride
SMILESCC(C)C[Al+]CC(C)C.CCCCCCC.[H-]
InChIInChI=1S/C7H16.2C4H9.Al.H/c1-3-5-7-6-4-2;2*1-4(2)3;;/h3-7H2,1-2H3;2*4H,1H2,2-3H3;;/q;;;+1;-1
InChIKeyFBKBHMUKMJUMBW-UHFFFAOYSA-N
XLogP5.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500242.43
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-methylpentaoctacontane
CID 90745672
2-methyldecane
CID 23415
bis(2-methylpropyl)alumanylium;dichloromethane;hydride
CID 86656508
2-methyltetratriacontane
CID 14275207
2-methyloctacosane
CID 519147
2-methylnonane;heptahydrofluoride
CID 160801749
lithium;hydride;2-methylheptane
CID 173040195
azane;2-methyloctadecane
CID 175414560
alumane;2-methyldecane
CID 174844655
methane;2-methylicosane
CID 157337652
2-methyltricosane;hydrate
CID 172783998
2-methylheptadecane;hydrobromide
CID 174866228

Frequently Asked Questions

What is the IUPAC name of bis(2-methylpropyl)alumanylium;heptane;hydride?
The IUPAC name of bis(2-methylpropyl)alumanylium;heptane;hydride (CID 173374934) is bis(2-methylpropyl)alumanylium;heptane;hydride.
What is the SMILES notation for bis(2-methylpropyl)alumanylium;heptane;hydride?
The canonical SMILES for bis(2-methylpropyl)alumanylium;heptane;hydride is CC(C)C[Al+]CC(C)C.CCCCCCC.[H-].
What is the InChIKey of bis(2-methylpropyl)alumanylium;heptane;hydride?
The InChIKey is FBKBHMUKMJUMBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16.2C4H9.Al.H/c1-3-5-7-6-4-2;2*1-4(2)3;;/h3-7H2,1-2H3;2*4H,1H2,2-3H3;;/q;;;+1;-1.
What are the key properties of bis(2-methylpropyl)alumanylium;heptane;hydride?
bis(2-methylpropyl)alumanylium;heptane;hydride has a molecular weight of 242.43 g/mol, XLogP of 5.93, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-methylpropyl)alumanylium;heptane;hydride is sourced from PubChem (CID 173374934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).