CID 175978360

C4H8AlO2 — CID 175978360

IUPAC—
SMILESOC/C=C\CO.[Al]
InChIInChI=1S/C4H8O2.Al/c5-3-1-2-4-6;/h1-2,5-6H,3-4H2;/b2-1-;
InChIKeySUCYZAOHVHETPG-ODZAUARKSA-N
MW115.09 g/mol
LogP-0.85
Rot. Bonds2

About CID 175978360

CID 175978360 (PubChem CID 175978360) has the molecular formula C4H8AlO2 and a molecular weight of 115.09 g/mol.

Molecular Properties

Compound NameCID 175978360
PubChem CID175978360
Molecular FormulaC4H8AlO2
Molecular Weight115.09 g/mol
Exact Mass115.03
IUPAC Name—
SMILESOC/C=C\CO.[Al]
InChIInChI=1S/C4H8O2.Al/c5-3-1-2-4-6;/h1-2,5-6H,3-4H2;/b2-1-;
InChIKeySUCYZAOHVHETPG-ODZAUARKSA-N
XLogP-0.85
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.09
LogP ≤ 5-0.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 175978360?
The IUPAC name of CID 175978360 (CID 175978360) is not available.
What is the SMILES notation for CID 175978360?
The canonical SMILES for CID 175978360 is OC/C=C\CO.[Al].
What is the InChIKey of CID 175978360?
The InChIKey is SUCYZAOHVHETPG-ODZAUARKSA-N. The full InChI is InChI=1S/C4H8O2.Al/c5-3-1-2-4-6;/h1-2,5-6H,3-4H2;/b2-1-;.
What are the key properties of CID 175978360?
CID 175978360 has a molecular weight of 115.09 g/mol, XLogP of -0.85, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175978360 is sourced from PubChem (CID 175978360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).