alumane;hexadecane

C16H37Al — CID 173005207

IUPACalumane;hexadecane
SMILESCCCCCCCCCCCCCCCC.[AlH3]
InChIInChI=1S/C16H34.Al.3H/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2;;;;/h3-16H2,1-2H3;;;;
InChIKeyNMOCPFDIHRBPRQ-UHFFFAOYSA-N
MW256.45 g/mol
LogP5.30
Rot. Bonds13

About alumane;hexadecane

alumane;hexadecane (PubChem CID 173005207) has the molecular formula C16H37Al and a molecular weight of 256.45 g/mol. Its IUPAC name is alumane;hexadecane.

Molecular Properties

Compound Namealumane;hexadecane
PubChem CID173005207
Molecular FormulaC16H37Al
Molecular Weight256.45 g/mol
Exact Mass256.27
IUPAC Namealumane;hexadecane
SMILESCCCCCCCCCCCCCCCC.[AlH3]
InChIInChI=1S/C16H34.Al.3H/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2;;;;/h3-16H2,1-2H3;;;;
InChIKeyNMOCPFDIHRBPRQ-UHFFFAOYSA-N
XLogP5.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500256.45
LogP ≤ 55.30
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;dodecane
CID 173445069
henoctacontane
CID 22086342
dohexacontane
CID 522644
hexacosane;octacosane
CID 158944700
bis(decane);hexane
CID 158666782
decane;heptane
CID 159049036
hexadecane;pentadecane
CID 159687875
dooctacontane
CID 522649
CID 161246447
CID 161246447
triacontane
CID 12535
dictane
CID 19848341
heptahectane
CID 123338944

Frequently Asked Questions

What is the IUPAC name of alumane;hexadecane?
The IUPAC name of alumane;hexadecane (CID 173005207) is alumane;hexadecane.
What is the SMILES notation for alumane;hexadecane?
The canonical SMILES for alumane;hexadecane is CCCCCCCCCCCCCCCC.[AlH3].
What is the InChIKey of alumane;hexadecane?
The InChIKey is NMOCPFDIHRBPRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34.Al.3H/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2;;;;/h3-16H2,1-2H3;;;;.
What are the key properties of alumane;hexadecane?
alumane;hexadecane has a molecular weight of 256.45 g/mol, XLogP of 5.30, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for alumane;hexadecane is sourced from PubChem (CID 173005207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).