CID 174879273

C11H18AlCl2 — CID 174879273

IUPAC—
SMILESCC[Al]CC.Cl.ClCc1ccccc1
InChIInChI=1S/C7H7Cl.2C2H5.Al.ClH/c8-6-7-4-2-1-3-5-7;2*1-2;;/h1-5H,6H2;2*1H2,2H3;;1H
InChIKeyYYRFCAKEIUEBNO-UHFFFAOYSA-N
MW248.15 g/mol
LogP4.41
Rot. Bonds3

About CID 174879273

CID 174879273 (PubChem CID 174879273) has the molecular formula C11H18AlCl2 and a molecular weight of 248.15 g/mol.

Molecular Properties

Compound NameCID 174879273
PubChem CID174879273
Molecular FormulaC11H18AlCl2
Molecular Weight248.15 g/mol
Exact Mass247.06
IUPAC Name—
SMILESCC[Al]CC.Cl.ClCc1ccccc1
InChIInChI=1S/C7H7Cl.2C2H5.Al.ClH/c8-6-7-4-2-1-3-5-7;2*1-2;;/h1-5H,6H2;2*1H2,2H3;;1H
InChIKeyYYRFCAKEIUEBNO-UHFFFAOYSA-N
XLogP4.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.15
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 174879273?
The IUPAC name of CID 174879273 (CID 174879273) is not available.
What is the SMILES notation for CID 174879273?
The canonical SMILES for CID 174879273 is CC[Al]CC.Cl.ClCc1ccccc1.
What is the InChIKey of CID 174879273?
The InChIKey is YYRFCAKEIUEBNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7Cl.2C2H5.Al.ClH/c8-6-7-4-2-1-3-5-7;2*1-2;;/h1-5H,6H2;2*1H2,2H3;;1H.
What are the key properties of CID 174879273?
CID 174879273 has a molecular weight of 248.15 g/mol, XLogP of 4.41, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174879273 is sourced from PubChem (CID 174879273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).