CID 88802341

C4H10AlBr2 — CID 88802341

IUPAC—
SMILESCCBr.CCBr.[Al]
InChIInChI=1S/2C2H5Br.Al/c2*1-2-3;/h2*2H2,1H3;
InChIKeyKTMVJZYCTYDSJK-UHFFFAOYSA-N
MW244.91 g/mol
LogP2.42
Rot. Bonds

About CID 88802341

CID 88802341 (PubChem CID 88802341) has the molecular formula C4H10AlBr2 and a molecular weight of 244.91 g/mol.

Molecular Properties

Compound NameCID 88802341
PubChem CID88802341
Molecular FormulaC4H10AlBr2
Molecular Weight244.91 g/mol
Exact Mass242.90
IUPAC Name—
SMILESCCBr.CCBr.[Al]
InChIInChI=1S/2C2H5Br.Al/c2*1-2-3;/h2*2H2,1H3;
InChIKeyKTMVJZYCTYDSJK-UHFFFAOYSA-N
XLogP2.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.91
LogP ≤ 52.42
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 88802341?
The IUPAC name of CID 88802341 (CID 88802341) is not available.
What is the SMILES notation for CID 88802341?
The canonical SMILES for CID 88802341 is CCBr.CCBr.[Al].
What is the InChIKey of CID 88802341?
The InChIKey is KTMVJZYCTYDSJK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C2H5Br.Al/c2*1-2-3;/h2*2H2,1H3;.
What are the key properties of CID 88802341?
CID 88802341 has a molecular weight of 244.91 g/mol, XLogP of 2.42, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 88802341 is sourced from PubChem (CID 88802341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).