CID 86634936

C15H26Al — CID 86634936

IUPAC—
SMILESCC(C)C[Al]CC(C)C.Cc1ccccc1
InChIInChI=1S/C7H8.2C4H9.Al/c1-7-5-3-2-4-6-7;2*1-4(2)3;/h2-6H,1H3;2*4H,1H2,2-3H3;
InChIKeyQUTUGAAHXRQDCQ-UHFFFAOYSA-N
MW233.36 g/mol
LogP4.83
Rot. Bonds4

About CID 86634936

CID 86634936 (PubChem CID 86634936) has the molecular formula C15H26Al and a molecular weight of 233.36 g/mol.

Molecular Properties

Compound NameCID 86634936
PubChem CID86634936
Molecular FormulaC15H26Al
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC Name—
SMILESCC(C)C[Al]CC(C)C.Cc1ccccc1
InChIInChI=1S/C7H8.2C4H9.Al/c1-7-5-3-2-4-6-7;2*1-4(2)3;/h2-6H,1H3;2*4H,1H2,2-3H3;
InChIKeyQUTUGAAHXRQDCQ-UHFFFAOYSA-N
XLogP4.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of CID 86634936?
The IUPAC name of CID 86634936 (CID 86634936) is not available.
What is the SMILES notation for CID 86634936?
The canonical SMILES for CID 86634936 is CC(C)C[Al]CC(C)C.Cc1ccccc1.
What is the InChIKey of CID 86634936?
The InChIKey is QUTUGAAHXRQDCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8.2C4H9.Al/c1-7-5-3-2-4-6-7;2*1-4(2)3;/h2-6H,1H3;2*4H,1H2,2-3H3;.
What are the key properties of CID 86634936?
CID 86634936 has a molecular weight of 233.36 g/mol, XLogP of 4.83, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 86634936 is sourced from PubChem (CID 86634936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).