CID 135427175

C8H18Al — CID 135427175

IUPAC—
SMILESC[C-](C)C.C[C-](C)C.[Al+2]
InChIInChI=1S/2C4H9.Al/c2*1-4(2)3;/h2*1-3H3;/q2*-1;+2
InChIKeyITASOEORTLWYNK-UHFFFAOYSA-N
MW141.21 g/mol
LogP2.86
Rot. Bonds

About CID 135427175

CID 135427175 (PubChem CID 135427175) has the molecular formula C8H18Al and a molecular weight of 141.21 g/mol.

Molecular Properties

Compound NameCID 135427175
PubChem CID135427175
Molecular FormulaC8H18Al
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name—
SMILESC[C-](C)C.C[C-](C)C.[Al+2]
InChIInChI=1S/2C4H9.Al/c2*1-4(2)3;/h2*1-3H3;/q2*-1;+2
InChIKeyITASOEORTLWYNK-UHFFFAOYSA-N
XLogP2.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 135427175?
The IUPAC name of CID 135427175 (CID 135427175) is not available.
What is the SMILES notation for CID 135427175?
The canonical SMILES for CID 135427175 is C[C-](C)C.C[C-](C)C.[Al+2].
What is the InChIKey of CID 135427175?
The InChIKey is ITASOEORTLWYNK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H9.Al/c2*1-4(2)3;/h2*1-3H3;/q2*-1;+2.
What are the key properties of CID 135427175?
CID 135427175 has a molecular weight of 141.21 g/mol, XLogP of 2.86, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 135427175 is sourced from PubChem (CID 135427175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).