CID 143389840

C8H18Al — CID 143389840

IUPAC—
SMILESCCCCCC[Al]CC
InChIInChI=1S/C6H13.C2H5.Al/c1-3-5-6-4-2;1-2;/h1,3-6H2,2H3;1H2,2H3;
InChIKeyMLGCVHGQBJIHHP-UHFFFAOYSA-N
MW141.21 g/mol
LogP3.13
Rot. Bonds6

About CID 143389840

CID 143389840 (PubChem CID 143389840) has the molecular formula C8H18Al and a molecular weight of 141.21 g/mol.

Molecular Properties

Compound NameCID 143389840
PubChem CID143389840
Molecular FormulaC8H18Al
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name—
SMILESCCCCCC[Al]CC
InChIInChI=1S/C6H13.C2H5.Al/c1-3-5-6-4-2;1-2;/h1,3-6H2,2H3;1H2,2H3;
InChIKeyMLGCVHGQBJIHHP-UHFFFAOYSA-N
XLogP3.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 53.13
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

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CID 173268155
ethane;octadecane
CID 143981738
ethane;heptane;methane
CID 142916060
ethane;methane;octane
CID 158155293
butane;ethane;heptane
CID 143121250
ethane;tris(heptane);propane
CID 158842848
ethane;heptane;pentane
CID 142269041
ethane;methane;tridecane
CID 159295261
CID 161246447
CID 161246447
hexadecane;pentadecane
CID 159687875
dooctacontane
CID 522649
hexacosane;octacosane
CID 158944700

Frequently Asked Questions

What is the IUPAC name of CID 143389840?
The IUPAC name of CID 143389840 (CID 143389840) is not available.
What is the SMILES notation for CID 143389840?
The canonical SMILES for CID 143389840 is CCCCCC[Al]CC.
What is the InChIKey of CID 143389840?
The InChIKey is MLGCVHGQBJIHHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13.C2H5.Al/c1-3-5-6-4-2;1-2;/h1,3-6H2,2H3;1H2,2H3;.
What are the key properties of CID 143389840?
CID 143389840 has a molecular weight of 141.21 g/mol, XLogP of 3.13, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 143389840 is sourced from PubChem (CID 143389840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).