CID 88776884

C6H16AlClO — CID 88776884

IUPAC—
SMILESCCOCC.CC[Al].Cl
InChIInChI=1S/C4H10O.C2H5.Al.ClH/c1-3-5-4-2;1-2;;/h3-4H2,1-2H3;1H2,2H3;;1H
InChIKeyDTHCGGNZUQFTCI-UHFFFAOYSA-N
MW166.63 g/mol
LogP2.06
Rot. Bonds2

About CID 88776884

CID 88776884 (PubChem CID 88776884) has the molecular formula C6H16AlClO and a molecular weight of 166.63 g/mol.

Molecular Properties

Compound NameCID 88776884
PubChem CID88776884
Molecular FormulaC6H16AlClO
Molecular Weight166.63 g/mol
Exact Mass166.07
IUPAC Name—
SMILESCCOCC.CC[Al].Cl
InChIInChI=1S/C4H10O.C2H5.Al.ClH/c1-3-5-4-2;1-2;;/h3-4H2,1-2H3;1H2,2H3;;1H
InChIKeyDTHCGGNZUQFTCI-UHFFFAOYSA-N
XLogP2.06
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.63
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 88776884?
The IUPAC name of CID 88776884 (CID 88776884) is not available.
What is the SMILES notation for CID 88776884?
The canonical SMILES for CID 88776884 is CCOCC.CC[Al].Cl.
What is the InChIKey of CID 88776884?
The InChIKey is DTHCGGNZUQFTCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O.C2H5.Al.ClH/c1-3-5-4-2;1-2;;/h3-4H2,1-2H3;1H2,2H3;;1H.
What are the key properties of CID 88776884?
CID 88776884 has a molecular weight of 166.63 g/mol, XLogP of 2.06, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 88776884 is sourced from PubChem (CID 88776884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).