CID 87233842

C3H8AlClO — CID 87233842

IUPAC—
SMILESCC(C)O[Al].Cl
InChIInChI=1S/C3H7O.Al.ClH/c1-3(2)4;;/h3H,1-2H3;;1H/q-1;+1;
InChIKeyCVVTWEBJMFSDLK-UHFFFAOYSA-N
MW122.53 g/mol
LogP0.92
Rot. Bonds1

About CID 87233842

CID 87233842 (PubChem CID 87233842) has the molecular formula C3H8AlClO and a molecular weight of 122.53 g/mol.

Molecular Properties

Compound NameCID 87233842
PubChem CID87233842
Molecular FormulaC3H8AlClO
Molecular Weight122.53 g/mol
Exact Mass122.01
IUPAC Name—
SMILESCC(C)O[Al].Cl
InChIInChI=1S/C3H7O.Al.ClH/c1-3(2)4;;/h3H,1-2H3;;1H/q-1;+1;
InChIKeyCVVTWEBJMFSDLK-UHFFFAOYSA-N
XLogP0.92
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.53
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of CID 87233842?
The IUPAC name of CID 87233842 (CID 87233842) is not available.
What is the SMILES notation for CID 87233842?
The canonical SMILES for CID 87233842 is CC(C)O[Al].Cl.
What is the InChIKey of CID 87233842?
The InChIKey is CVVTWEBJMFSDLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7O.Al.ClH/c1-3(2)4;;/h3H,1-2H3;;1H/q-1;+1;.
What are the key properties of CID 87233842?
CID 87233842 has a molecular weight of 122.53 g/mol, XLogP of 0.92, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87233842 is sourced from PubChem (CID 87233842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).