Smakccndqnanpd-hwkanzrosa-

C₁₀H₁₄Cl₂O₂ — CID 13085150

About Smakccndqnanpd-hwkanzrosa-

Smakccndqnanpd-hwkanzrosa- (PubChem CID 13085150) has the molecular formula C₁₀H₁₄Cl₂O₂ and a molecular weight of 237.13 g/mol. Its IUPAC name is (6E)-9,9-dichloro-2-methyl-3,4,5,8-tetrahydro-2H-oxecin-10-one.

Molecular Properties

• Compound Name: Smakccndqnanpd-hwkanzrosa-
• PubChem CID: 13085150
• Molecular Formula: C₁₀H₁₄Cl₂O₂
• Molecular Weight: 237.13 g/mol
• Exact Mass: 236.04
• IUPAC Name: (6E)-9,9-dichloro-2-methyl-3,4,5,8-tetrahydro-2H-oxecin-10-one
• SMILES: CC1CCC/C=C/CC(Cl)(Cl)C(=O)O1
• InChI: InChI=1S/C10H14Cl2O2/c1-8-6-4-2-3-5-7-10(11,12)9(13)14-8/h3,5,8H,2,4,6-7H2,1H3/b5-3+
• InChIKey: SMAKCCNDQNANPD-HWKANZROSA-N
• XLogP: 3.22
• TPSA: 26.30 Ų
• H-Bond Acceptors: 2
• Heavy Atoms: 14
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	237.13
LogP ≤ 5	3.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of Smakccndqnanpd-hwkanzrosa-?

The IUPAC name of Smakccndqnanpd-hwkanzrosa- (CID 13085150) is (6E)-9,9-dichloro-2-methyl-3,4,5,8-tetrahydro-2H-oxecin-10-one.

What is the SMILES notation for Smakccndqnanpd-hwkanzrosa-?

The canonical SMILES for Smakccndqnanpd-hwkanzrosa- is CC1CCC/C=C/CC(Cl)(Cl)C(=O)O1.

What is the InChIKey of Smakccndqnanpd-hwkanzrosa-?

The InChIKey is SMAKCCNDQNANPD-HWKANZROSA-N. The full InChI is InChI=1S/C10H14Cl2O2/c1-8-6-4-2-3-5-7-10(11,12)9(13)14-8/h3,5,8H,2,4,6-7H2,1H3/b5-3+.

What are the key properties of Smakccndqnanpd-hwkanzrosa-?

Smakccndqnanpd-hwkanzrosa- has a molecular weight of 237.13 g/mol, XLogP of 3.22, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for Smakccndqnanpd-hwkanzrosa- is sourced from PubChem (CID 13085150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 13085150 — identifiers, structure, computed properties (public domain)

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