alumane;dodecane

C12H29Al — CID 173445069

IUPACalumane;dodecane
SMILESCCCCCCCCCCCC.[AlH3]
InChIInChI=1S/C12H26.Al.3H/c1-3-5-7-9-11-12-10-8-6-4-2;;;;/h3-12H2,1-2H3;;;;
InChIKeyCLUPUBDSSZFVKU-UHFFFAOYSA-N
MW200.35 g/mol
LogP3.74
Rot. Bonds9

About alumane;dodecane

alumane;dodecane (PubChem CID 173445069) has the molecular formula C12H29Al and a molecular weight of 200.35 g/mol. Its IUPAC name is alumane;dodecane.

Molecular Properties

Compound Namealumane;dodecane
PubChem CID173445069
Molecular FormulaC12H29Al
Molecular Weight200.35 g/mol
Exact Mass200.21
IUPAC Namealumane;dodecane
SMILESCCCCCCCCCCCC.[AlH3]
InChIInChI=1S/C12H26.Al.3H/c1-3-5-7-9-11-12-10-8-6-4-2;;;;/h3-12H2,1-2H3;;;;
InChIKeyCLUPUBDSSZFVKU-UHFFFAOYSA-N
XLogP3.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
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

alumane;hexadecane
CID 173005207
hexadecane;pentadecane
CID 159687875
dooctacontane
CID 522649
dohexacontane
CID 522644
hexacosane;octacosane
CID 158944700
bis(decane);hexane
CID 158666782
decane;heptane
CID 159049036
henoctacontane
CID 22086342
CID 161246447
CID 161246447
triacontane
CID 12535
dictane
CID 19848341
heptahectane
CID 123338944

Frequently Asked Questions

What is the IUPAC name of alumane;dodecane?
The IUPAC name of alumane;dodecane (CID 173445069) is alumane;dodecane.
What is the SMILES notation for alumane;dodecane?
The canonical SMILES for alumane;dodecane is CCCCCCCCCCCC.[AlH3].
What is the InChIKey of alumane;dodecane?
The InChIKey is CLUPUBDSSZFVKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26.Al.3H/c1-3-5-7-9-11-12-10-8-6-4-2;;;;/h3-12H2,1-2H3;;;;.
What are the key properties of alumane;dodecane?
alumane;dodecane has a molecular weight of 200.35 g/mol, XLogP of 3.74, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for alumane;dodecane is sourced from PubChem (CID 173445069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).