alumane;2-methyldecane

C11H27Al — CID 174844655

IUPACalumane;2-methyldecane
SMILESCCCCCCCCC(C)C.[AlH3]
InChIInChI=1S/C11H24.Al.3H/c1-4-5-6-7-8-9-10-11(2)3;;;;/h11H,4-10H2,1-3H3;;;;
InChIKeyXTLOBSRGLYRQCI-UHFFFAOYSA-N
MW186.32 g/mol
LogP3.21
Rot. Bonds7

About alumane;2-methyldecane

alumane;2-methyldecane (PubChem CID 174844655) has the molecular formula C11H27Al and a molecular weight of 186.32 g/mol. Its IUPAC name is alumane;2-methyldecane.

Molecular Properties

Compound Namealumane;2-methyldecane
PubChem CID174844655
Molecular FormulaC11H27Al
Molecular Weight186.32 g/mol
Exact Mass186.19
IUPAC Namealumane;2-methyldecane
SMILESCCCCCCCCC(C)C.[AlH3]
InChIInChI=1S/C11H24.Al.3H/c1-4-5-6-7-8-9-10-11(2)3;;;;/h11H,4-10H2,1-3H3;;;;
InChIKeyXTLOBSRGLYRQCI-UHFFFAOYSA-N
XLogP3.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.32
LogP ≤ 53.21
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

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azane;2-methyloctadecane
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2-methylnonane;heptahydrofluoride
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methane;2-methylicosane
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2-methyltricosane;hydrate
CID 172783998
2-methylheptadecane;hydrobromide
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ethane;2-methyloctane;pentane
CID 144527652
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CID 54106775
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CID 175108338

Frequently Asked Questions

What is the IUPAC name of alumane;2-methyldecane?
The IUPAC name of alumane;2-methyldecane (CID 174844655) is alumane;2-methyldecane.
What is the SMILES notation for alumane;2-methyldecane?
The canonical SMILES for alumane;2-methyldecane is CCCCCCCCC(C)C.[AlH3].
What is the InChIKey of alumane;2-methyldecane?
The InChIKey is XTLOBSRGLYRQCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24.Al.3H/c1-4-5-6-7-8-9-10-11(2)3;;;;/h11H,4-10H2,1-3H3;;;;.
What are the key properties of alumane;2-methyldecane?
alumane;2-methyldecane has a molecular weight of 186.32 g/mol, XLogP of 3.21, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for alumane;2-methyldecane is sourced from PubChem (CID 174844655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).