CID 88651802

C6H14AlClO — CID 88651802

IUPAC—
SMILESCCCCCCO[Al].Cl
InChIInChI=1S/C6H13O.Al.ClH/c1-2-3-4-5-6-7;;/h2-6H2,1H3;;1H/q-1;+1;
InChIKeyMWLRMWLHQSCKLI-UHFFFAOYSA-N
MW164.61 g/mol
LogP2.09
Rot. Bonds5

About CID 88651802

CID 88651802 (PubChem CID 88651802) has the molecular formula C6H14AlClO and a molecular weight of 164.61 g/mol.

Molecular Properties

Compound NameCID 88651802
PubChem CID88651802
Molecular FormulaC6H14AlClO
Molecular Weight164.61 g/mol
Exact Mass164.05
IUPAC Name—
SMILESCCCCCCO[Al].Cl
InChIInChI=1S/C6H13O.Al.ClH/c1-2-3-4-5-6-7;;/h2-6H2,1H3;;1H/q-1;+1;
InChIKeyMWLRMWLHQSCKLI-UHFFFAOYSA-N
XLogP2.09
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.61
LogP ≤ 52.09
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 88651802?
The IUPAC name of CID 88651802 (CID 88651802) is not available.
What is the SMILES notation for CID 88651802?
The canonical SMILES for CID 88651802 is CCCCCCO[Al].Cl.
What is the InChIKey of CID 88651802?
The InChIKey is MWLRMWLHQSCKLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13O.Al.ClH/c1-2-3-4-5-6-7;;/h2-6H2,1H3;;1H/q-1;+1;.
What are the key properties of CID 88651802?
CID 88651802 has a molecular weight of 164.61 g/mol, XLogP of 2.09, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 88651802 is sourced from PubChem (CID 88651802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).