CID 174872253

C18H42Al — CID 174872253

IUPAC—
SMILESCC(C)C[Al]CC(C)C.CCCCCCCCCC.[H][H]
InChIInChI=1S/C10H22.2C4H9.Al.H2/c1-3-5-7-9-10-8-6-4-2;2*1-4(2)3;;/h3-10H2,1-2H3;2*4H,1H2,2-3H3;;1H
InChIKeyPIROJCZYALYZOE-UHFFFAOYSA-N
MW285.52 g/mol
LogP7.23
Rot. Bonds11

About CID 174872253

CID 174872253 (PubChem CID 174872253) has the molecular formula C18H42Al and a molecular weight of 285.52 g/mol.

Molecular Properties

Compound NameCID 174872253
PubChem CID174872253
Molecular FormulaC18H42Al
Molecular Weight285.52 g/mol
Exact Mass285.31
IUPAC Name—
SMILESCC(C)C[Al]CC(C)C.CCCCCCCCCC.[H][H]
InChIInChI=1S/C10H22.2C4H9.Al.H2/c1-3-5-7-9-10-8-6-4-2;2*1-4(2)3;;/h3-10H2,1-2H3;2*4H,1H2,2-3H3;;1H
InChIKeyPIROJCZYALYZOE-UHFFFAOYSA-N
XLogP7.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.52
LogP ≤ 57.23
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 174872253?
The IUPAC name of CID 174872253 (CID 174872253) is not available.
What is the SMILES notation for CID 174872253?
The canonical SMILES for CID 174872253 is CC(C)C[Al]CC(C)C.CCCCCCCCCC.[H][H].
What is the InChIKey of CID 174872253?
The InChIKey is PIROJCZYALYZOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22.2C4H9.Al.H2/c1-3-5-7-9-10-8-6-4-2;2*1-4(2)3;;/h3-10H2,1-2H3;2*4H,1H2,2-3H3;;1H.
What are the key properties of CID 174872253?
CID 174872253 has a molecular weight of 285.52 g/mol, XLogP of 7.23, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174872253 is sourced from PubChem (CID 174872253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).