dodecan-4-ylalumane

C12H27Al — CID 175037294

IUPACdodecan-4-ylalumane
SMILESCCCCCCCCC([AlH2])CCC
InChIInChI=1S/C12H25.Al.2H/c1-3-5-7-9-11-12-10-8-6-4-2;;;/h7H,3-6,8-12H2,1-2H3;;;
InChIKeyRWTKQTFYLDVDGN-UHFFFAOYSA-N
MW198.33 g/mol
LogP3.96
Rot. Bonds9

About dodecan-4-ylalumane

dodecan-4-ylalumane (PubChem CID 175037294) has the molecular formula C12H27Al and a molecular weight of 198.33 g/mol. Its IUPAC name is dodecan-4-ylalumane.

Molecular Properties

Compound Namedodecan-4-ylalumane
PubChem CID175037294
Molecular FormulaC12H27Al
Molecular Weight198.33 g/mol
Exact Mass198.19
IUPAC Namedodecan-4-ylalumane
SMILESCCCCCCCCC([AlH2])CCC
InChIInChI=1S/C12H25.Al.2H/c1-3-5-7-9-11-12-10-8-6-4-2;;;/h7H,3-6,8-12H2,1-2H3;;;
InChIKeyRWTKQTFYLDVDGN-UHFFFAOYSA-N
XLogP3.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.33
LogP ≤ 53.96
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

pentadecan-4-ylalumane
CID 173444566
7,8-dipropyltetradecane
CID 530307
4,5-dipropyltetradecane
CID 21490606
8-hexyl-7-propyltriacontane
CID 21490607
16-propylhexatriacontane
CID 91313942
13-propylheptacosane
CID 90872787
13-propylpentacosane
CID 21183364
9-propyltricosane
CID 54290141
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 dodecan-4-ylalumane?
The IUPAC name of dodecan-4-ylalumane (CID 175037294) is dodecan-4-ylalumane.
What is the SMILES notation for dodecan-4-ylalumane?
The canonical SMILES for dodecan-4-ylalumane is CCCCCCCCC([AlH2])CCC.
What is the InChIKey of dodecan-4-ylalumane?
The InChIKey is RWTKQTFYLDVDGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25.Al.2H/c1-3-5-7-9-11-12-10-8-6-4-2;;;/h7H,3-6,8-12H2,1-2H3;;;.
What are the key properties of dodecan-4-ylalumane?
dodecan-4-ylalumane has a molecular weight of 198.33 g/mol, XLogP of 3.96, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dodecan-4-ylalumane is sourced from PubChem (CID 175037294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).