CID 173268687

C6H12AlCl2 — CID 173268687

IUPAC—
SMILESC=CC[Al]CC=C.Cl.Cl
InChIInChI=1S/2C3H5.Al.2ClH/c2*1-3-2;;;/h2*3H,1-2H2;;2*1H
InChIKeyPIMFZOJNCFYZDE-UHFFFAOYSA-N
MW182.05 g/mol
LogP2.74
Rot. Bonds4

About CID 173268687

CID 173268687 (PubChem CID 173268687) has the molecular formula C6H12AlCl2 and a molecular weight of 182.05 g/mol.

Molecular Properties

Compound NameCID 173268687
PubChem CID173268687
Molecular FormulaC6H12AlCl2
Molecular Weight182.05 g/mol
Exact Mass181.01
IUPAC Name—
SMILESC=CC[Al]CC=C.Cl.Cl
InChIInChI=1S/2C3H5.Al.2ClH/c2*1-3-2;;;/h2*3H,1-2H2;;2*1H
InChIKeyPIMFZOJNCFYZDE-UHFFFAOYSA-N
XLogP2.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.05
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 173268687?
The IUPAC name of CID 173268687 (CID 173268687) is not available.
What is the SMILES notation for CID 173268687?
The canonical SMILES for CID 173268687 is C=CC[Al]CC=C.Cl.Cl.
What is the InChIKey of CID 173268687?
The InChIKey is PIMFZOJNCFYZDE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C3H5.Al.2ClH/c2*1-3-2;;;/h2*3H,1-2H2;;2*1H.
What are the key properties of CID 173268687?
CID 173268687 has a molecular weight of 182.05 g/mol, XLogP of 2.74, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173268687 is sourced from PubChem (CID 173268687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).