CID 173079776

C6H9Al — CID 173079776

IUPAC—
SMILES[Al]C1C=CC=CC1.[H][H]
InChIInChI=1S/C6H7.Al.H2/c1-2-4-6-5-3-1;;/h1-5H,6H2;;1H
InChIKeySBWKWKVWYVACCG-UHFFFAOYSA-N
MW108.12 g/mol
LogP1.71
Rot. Bonds

About CID 173079776

CID 173079776 (PubChem CID 173079776) has the molecular formula C6H9Al and a molecular weight of 108.12 g/mol.

Molecular Properties

Compound NameCID 173079776
PubChem CID173079776
Molecular FormulaC6H9Al
Molecular Weight108.12 g/mol
Exact Mass108.05
IUPAC Name—
SMILES[Al]C1C=CC=CC1.[H][H]
InChIInChI=1S/C6H7.Al.H2/c1-2-4-6-5-3-1;;/h1-5H,6H2;;1H
InChIKeySBWKWKVWYVACCG-UHFFFAOYSA-N
XLogP1.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.12
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of CID 173079776?
The IUPAC name of CID 173079776 (CID 173079776) is not available.
What is the SMILES notation for CID 173079776?
The canonical SMILES for CID 173079776 is [Al]C1C=CC=CC1.[H][H].
What is the InChIKey of CID 173079776?
The InChIKey is SBWKWKVWYVACCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7.Al.H2/c1-2-4-6-5-3-1;;/h1-5H,6H2;;1H.
What are the key properties of CID 173079776?
CID 173079776 has a molecular weight of 108.12 g/mol, XLogP of 1.71, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173079776 is sourced from PubChem (CID 173079776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).