CID 87208956

C4H8BaO2 — CID 87208956

IUPAC—
SMILESCCCC(=O)O.[Ba]
InChIInChI=1S/C4H8O2.Ba/c1-2-3-4(5)6;/h2-3H2,1H3,(H,5,6);
InChIKeyNYZWNDUNHWSBLE-UHFFFAOYSA-N
MW225.43 g/mol
LogP0.49
Rot. Bonds2

About CID 87208956

CID 87208956 (PubChem CID 87208956) has the molecular formula C4H8BaO2 and a molecular weight of 225.43 g/mol.

Molecular Properties

Compound NameCID 87208956
PubChem CID87208956
Molecular FormulaC4H8BaO2
Molecular Weight225.43 g/mol
Exact Mass225.96
IUPAC Name—
SMILESCCCC(=O)O.[Ba]
InChIInChI=1S/C4H8O2.Ba/c1-2-3-4(5)6;/h2-3H2,1H3,(H,5,6);
InChIKeyNYZWNDUNHWSBLE-UHFFFAOYSA-N
XLogP0.49
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.43
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 87208956?
The IUPAC name of CID 87208956 (CID 87208956) is not available.
What is the SMILES notation for CID 87208956?
The canonical SMILES for CID 87208956 is CCCC(=O)O.[Ba].
What is the InChIKey of CID 87208956?
The InChIKey is NYZWNDUNHWSBLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O2.Ba/c1-2-3-4(5)6;/h2-3H2,1H3,(H,5,6);.
What are the key properties of CID 87208956?
CID 87208956 has a molecular weight of 225.43 g/mol, XLogP of 0.49, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87208956 is sourced from PubChem (CID 87208956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).