CID 173081608

C4H9Al — CID 173081608

IUPAC—
SMILES[3H]CCCC[Al]
InChIInChI=1S/C4H9.Al/c1-3-4-2;/h1,3-4H2,2H3;/i2T;
InChIKeyOCFSGVNHPVWWKD-NVHZEMIHSA-N
MW86.11 g/mol
LogP1.37
Rot. Bonds3

About CID 173081608

CID 173081608 (PubChem CID 173081608) has the molecular formula C4H9Al and a molecular weight of 86.11 g/mol.

Molecular Properties

Compound NameCID 173081608
PubChem CID173081608
Molecular FormulaC4H9Al
Molecular Weight86.11 g/mol
Exact Mass86.06
IUPAC Name—
SMILES[3H]CCCC[Al]
InChIInChI=1S/C4H9.Al/c1-3-4-2;/h1,3-4H2,2H3;/i2T;
InChIKeyOCFSGVNHPVWWKD-NVHZEMIHSA-N
XLogP1.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50086.11
LogP ≤ 51.37
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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Frequently Asked Questions

What is the IUPAC name of CID 173081608?
The IUPAC name of CID 173081608 (CID 173081608) is not available.
What is the SMILES notation for CID 173081608?
The canonical SMILES for CID 173081608 is [3H]CCCC[Al].
What is the InChIKey of CID 173081608?
The InChIKey is OCFSGVNHPVWWKD-NVHZEMIHSA-N. The full InChI is InChI=1S/C4H9.Al/c1-3-4-2;/h1,3-4H2,2H3;/i2T;.
What are the key properties of CID 173081608?
CID 173081608 has a molecular weight of 86.11 g/mol, XLogP of 1.37, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173081608 is sourced from PubChem (CID 173081608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).