CID 88775840

C2H7AlClO — CID 88775840

IUPAC—
SMILESCCCl.O.[Al]
InChIInChI=1S/C2H5Cl.Al.H2O/c1-2-3;;/h2H2,1H3;;1H2
InChIKeySTGUHRDYWALBRY-UHFFFAOYSA-N
MW109.51 g/mol
LogP0.04
Rot. Bonds

About CID 88775840

CID 88775840 (PubChem CID 88775840) has the molecular formula C2H7AlClO and a molecular weight of 109.51 g/mol.

Molecular Properties

Compound NameCID 88775840
PubChem CID88775840
Molecular FormulaC2H7AlClO
Molecular Weight109.51 g/mol
Exact Mass109.00
IUPAC Name—
SMILESCCCl.O.[Al]
InChIInChI=1S/C2H5Cl.Al.H2O/c1-2-3;;/h2H2,1H3;;1H2
InChIKeySTGUHRDYWALBRY-UHFFFAOYSA-N
XLogP0.04
TPSA31.50 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.51
LogP ≤ 50.04
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 88775840?
The IUPAC name of CID 88775840 (CID 88775840) is not available.
What is the SMILES notation for CID 88775840?
The canonical SMILES for CID 88775840 is CCCl.O.[Al].
What is the InChIKey of CID 88775840?
The InChIKey is STGUHRDYWALBRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5Cl.Al.H2O/c1-2-3;;/h2H2,1H3;;1H2.
What are the key properties of CID 88775840?
CID 88775840 has a molecular weight of 109.51 g/mol, XLogP of 0.04, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 88775840 is sourced from PubChem (CID 88775840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).