alumane;cyclohexane;hexane

C12H29Al — CID 175455201

IUPACalumane;cyclohexane;hexane
SMILESC1CCCCC1.CCCCCC.[AlH3]
InChIInChI=1S/C6H12.C6H14.Al.3H/c1-2-4-6-5-3-1;1-3-5-6-4-2;;;;/h1-6H2;3-6H2,1-2H3;;;;
InChIKeyAYMOYWFZQKBCFA-UHFFFAOYSA-N
MW200.35 g/mol
LogP3.74
Rot. Bonds3

About alumane;cyclohexane;hexane

alumane;cyclohexane;hexane (PubChem CID 175455201) has the molecular formula C12H29Al and a molecular weight of 200.35 g/mol. Its IUPAC name is alumane;cyclohexane;hexane.

Molecular Properties

Compound Namealumane;cyclohexane;hexane
PubChem CID175455201
Molecular FormulaC12H29Al
Molecular Weight200.35 g/mol
Exact Mass200.21
IUPAC Namealumane;cyclohexane;hexane
SMILESC1CCCCC1.CCCCCC.[AlH3]
InChIInChI=1S/C6H12.C6H14.Al.3H/c1-2-4-6-5-3-1;1-3-5-6-4-2;;;;/h1-6H2;3-6H2,1-2H3;;;;
InChIKeyAYMOYWFZQKBCFA-UHFFFAOYSA-N
XLogP3.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.35
LogP ≤ 53.74
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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alumane;hexadecane
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alumane;dodecane
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cyclohexane;bis(pentan-1-ol)
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Frequently Asked Questions

What is the IUPAC name of alumane;cyclohexane;hexane?
The IUPAC name of alumane;cyclohexane;hexane (CID 175455201) is alumane;cyclohexane;hexane.
What is the SMILES notation for alumane;cyclohexane;hexane?
The canonical SMILES for alumane;cyclohexane;hexane is C1CCCCC1.CCCCCC.[AlH3].
What is the InChIKey of alumane;cyclohexane;hexane?
The InChIKey is AYMOYWFZQKBCFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12.C6H14.Al.3H/c1-2-4-6-5-3-1;1-3-5-6-4-2;;;;/h1-6H2;3-6H2,1-2H3;;;;.
What are the key properties of alumane;cyclohexane;hexane?
alumane;cyclohexane;hexane has a molecular weight of 200.35 g/mol, XLogP of 3.74, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for alumane;cyclohexane;hexane is sourced from PubChem (CID 175455201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).