CID 157225905

C₁₀H₁₄O₃ — CID 157225905

About CID 157225905

CID 157225905 (PubChem CID 157225905) has the molecular formula C₁₀H₁₄O₃ and a molecular weight of 182.22 g/mol.

Molecular Properties

• Compound Name: CID 157225905
• PubChem CID: 157225905
• Molecular Formula: C₁₀H₁₄O₃
• Molecular Weight: 182.22 g/mol
• Exact Mass: 182.09
• IUPAC Name: —
• SMILES: C=C=CC(=C=C)C(CO)(CO)CO
• InChI: InChI=1S/C10H14O3/c1-3-5-9(4-2)10(6-11,7-12)8-13/h5,11-13H,1-2,6-8H2
• InChIKey: ATNOGXKLRAPTIY-UHFFFAOYSA-N
• XLogP: 0.00
• TPSA: 60.69 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 13
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	182.22
LogP ≤ 5	0.00
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of CID 157225905?

The IUPAC name of CID 157225905 (CID 157225905) is not available.

What is the SMILES notation for CID 157225905?

The canonical SMILES for CID 157225905 is C=C=CC(=C=C)C(CO)(CO)CO.

What is the InChIKey of CID 157225905?

The InChIKey is ATNOGXKLRAPTIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O3/c1-3-5-9(4-2)10(6-11,7-12)8-13/h5,11-13H,1-2,6-8H2.

What are the key properties of CID 157225905?

CID 157225905 has a molecular weight of 182.22 g/mol, XLogP of 0.00, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for CID 157225905 is sourced from PubChem (CID 157225905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 157225905 — identifiers, structure, computed properties (public domain)

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