CID 87322611

C5H11AlO — CID 87322611

IUPAC—
SMILESCCCCCO[Al]
InChIInChI=1S/C5H11O.Al/c1-2-3-4-5-6;/h2-5H2,1H3;/q-1;+1
InChIKeyWQLZGBAHPDCFLO-UHFFFAOYSA-N
MW114.12 g/mol
LogP1.28
Rot. Bonds4

About CID 87322611

CID 87322611 (PubChem CID 87322611) has the molecular formula C5H11AlO and a molecular weight of 114.12 g/mol.

Molecular Properties

Compound NameCID 87322611
PubChem CID87322611
Molecular FormulaC5H11AlO
Molecular Weight114.12 g/mol
Exact Mass114.06
IUPAC Name—
SMILESCCCCCO[Al]
InChIInChI=1S/C5H11O.Al/c1-2-3-4-5-6;/h2-5H2,1H3;/q-1;+1
InChIKeyWQLZGBAHPDCFLO-UHFFFAOYSA-N
XLogP1.28
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.12
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 87322611?
The IUPAC name of CID 87322611 (CID 87322611) is not available.
What is the SMILES notation for CID 87322611?
The canonical SMILES for CID 87322611 is CCCCCO[Al].
What is the InChIKey of CID 87322611?
The InChIKey is WQLZGBAHPDCFLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11O.Al/c1-2-3-4-5-6;/h2-5H2,1H3;/q-1;+1.
What are the key properties of CID 87322611?
CID 87322611 has a molecular weight of 114.12 g/mol, XLogP of 1.28, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87322611 is sourced from PubChem (CID 87322611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).