pentadecan-4-ylalumane

C15H33Al — CID 173444566

IUPACpentadecan-4-ylalumane
SMILESCCCCCCCCCCCC([AlH2])CCC
InChIInChI=1S/C15H31.Al.2H/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2;;;/h7H,3-6,8-15H2,1-2H3;;;
InChIKeyIKKYAHOZGVPXEL-UHFFFAOYSA-N
MW240.41 g/mol
LogP5.13
Rot. Bonds12

About pentadecan-4-ylalumane

pentadecan-4-ylalumane (PubChem CID 173444566) has the molecular formula C15H33Al and a molecular weight of 240.41 g/mol. Its IUPAC name is pentadecan-4-ylalumane.

Molecular Properties

Compound Namepentadecan-4-ylalumane
PubChem CID173444566
Molecular FormulaC15H33Al
Molecular Weight240.41 g/mol
Exact Mass240.24
IUPAC Namepentadecan-4-ylalumane
SMILESCCCCCCCCCCCC([AlH2])CCC
InChIInChI=1S/C15H31.Al.2H/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2;;;/h7H,3-6,8-15H2,1-2H3;;;
InChIKeyIKKYAHOZGVPXEL-UHFFFAOYSA-N
XLogP5.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500240.41
LogP ≤ 55.13
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

dodecan-4-ylalumane
CID 175037294
8-hexyl-7-propyltriacontane
CID 21490607
4,5-dipropyltetradecane
CID 21490606
13-propylheptacosane
CID 90872787
13-propylpentacosane
CID 21183364
9-propyltricosane
CID 54290141
16-propylhexatriacontane
CID 91313942
7,8-dipropyltetradecane
CID 530307
6-propyltetracosane
CID 91039357
15-propylpentatriacontane
CID 91540514
12-propylhenpentacontane
CID 123984579
9-octyloctadecane
CID 54267850

Frequently Asked Questions

What is the IUPAC name of pentadecan-4-ylalumane?
The IUPAC name of pentadecan-4-ylalumane (CID 173444566) is pentadecan-4-ylalumane.
What is the SMILES notation for pentadecan-4-ylalumane?
The canonical SMILES for pentadecan-4-ylalumane is CCCCCCCCCCCC([AlH2])CCC.
What is the InChIKey of pentadecan-4-ylalumane?
The InChIKey is IKKYAHOZGVPXEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31.Al.2H/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2;;;/h7H,3-6,8-15H2,1-2H3;;;.
What are the key properties of pentadecan-4-ylalumane?
pentadecan-4-ylalumane has a molecular weight of 240.41 g/mol, XLogP of 5.13, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for pentadecan-4-ylalumane is sourced from PubChem (CID 173444566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).