(2R,6R)-2-ethynyl-6-propan-2-yloxy-3,6-dihydro-2H-pyran

C₁₀H₁₄O₂ — CID 11171172

About (2R,6R)-2-ethynyl-6-propan-2-yloxy-3,6-dihydro-2H-pyran

(2R,6R)-2-ethynyl-6-propan-2-yloxy-3,6-dihydro-2H-pyran (PubChem CID 11171172) has the molecular formula C₁₀H₁₄O₂ and a molecular weight of 166.22 g/mol. Its IUPAC name is (2R,6R)-2-ethynyl-6-propan-2-yloxy-3,6-dihydro-2H-pyran.

Molecular Properties

• Compound Name: (2R,6R)-2-ethynyl-6-propan-2-yloxy-3,6-dihydro-2H-pyran
• PubChem CID: 11171172
• Molecular Formula: C₁₀H₁₄O₂
• Molecular Weight: 166.22 g/mol
• Exact Mass: 166.10
• IUPAC Name: (2R,6R)-2-ethynyl-6-propan-2-yloxy-3,6-dihydro-2H-pyran
• SMILES: C#C[C@H]1CC=C[C@H](OC(C)C)O1
• InChI: InChI=1S/C10H14O2/c1-4-9-6-5-7-10(12-9)11-8(2)3/h1,5,7-10H,6H2,2-3H3/t9-,10+/m0/s1
• InChIKey: AUEACLHSJORGJH-VHSXEESVSA-N
• XLogP: 1.72
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 12
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	166.22
LogP ≤ 5	1.72
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2R,6R)-2-ethynyl-6-propan-2-yloxy-3,6-dihydro-2H-pyran?

The IUPAC name of (2R,6R)-2-ethynyl-6-propan-2-yloxy-3,6-dihydro-2H-pyran (CID 11171172) is (2R,6R)-2-ethynyl-6-propan-2-yloxy-3,6-dihydro-2H-pyran.

What is the SMILES notation for (2R,6R)-2-ethynyl-6-propan-2-yloxy-3,6-dihydro-2H-pyran?

The canonical SMILES for (2R,6R)-2-ethynyl-6-propan-2-yloxy-3,6-dihydro-2H-pyran is C#C[C@H]1CC=C[C@H](OC(C)C)O1.

What is the InChIKey of (2R,6R)-2-ethynyl-6-propan-2-yloxy-3,6-dihydro-2H-pyran?

The InChIKey is AUEACLHSJORGJH-VHSXEESVSA-N. The full InChI is InChI=1S/C10H14O2/c1-4-9-6-5-7-10(12-9)11-8(2)3/h1,5,7-10H,6H2,2-3H3/t9-,10+/m0/s1.

What are the key properties of (2R,6R)-2-ethynyl-6-propan-2-yloxy-3,6-dihydro-2H-pyran?

(2R,6R)-2-ethynyl-6-propan-2-yloxy-3,6-dihydro-2H-pyran has a molecular weight of 166.22 g/mol, XLogP of 1.72, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,6R)-2-ethynyl-6-propan-2-yloxy-3,6-dihydro-2H-pyran is sourced from PubChem (CID 11171172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 11171172 — identifiers, structure, computed properties (public domain)

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