5-methyl-2-(6-methyloxan-3-yl)-3,4-dihydro-2H-pyran

C₁₂H₂₀O₂ — CID 126703828

About 5-methyl-2-(6-methyloxan-3-yl)-3,4-dihydro-2H-pyran

5-methyl-2-(6-methyloxan-3-yl)-3,4-dihydro-2H-pyran (PubChem CID 126703828) has the molecular formula C₁₂H₂₀O₂ and a molecular weight of 196.29 g/mol. Its IUPAC name is 5-methyl-2-(6-methyloxan-3-yl)-3,4-dihydro-2H-pyran.

Molecular Properties

• Compound Name: 5-methyl-2-(6-methyloxan-3-yl)-3,4-dihydro-2H-pyran
• PubChem CID: 126703828
• Molecular Formula: C₁₂H₂₀O₂
• Molecular Weight: 196.29 g/mol
• Exact Mass: 196.15
• IUPAC Name: 5-methyl-2-(6-methyloxan-3-yl)-3,4-dihydro-2H-pyran
• SMILES: CC1=COC(C2CCC(C)OC2)CC1
• InChI: InChI=1S/C12H20O2/c1-9-3-6-12(14-7-9)11-5-4-10(2)13-8-11/h7,10-12H,3-6,8H2,1-2H3
• InChIKey: VVSUMQHYDAKYPC-UHFFFAOYSA-N
• XLogP: 2.88
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 1
• Heavy Atoms: 14
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	196.29
LogP ≤ 5	2.88
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(6-methyloxan-3-yl)-3,4-dihydro-2H-pyran?

The IUPAC name of 5-methyl-2-(6-methyloxan-3-yl)-3,4-dihydro-2H-pyran (CID 126703828) is 5-methyl-2-(6-methyloxan-3-yl)-3,4-dihydro-2H-pyran.

What is the SMILES notation for 5-methyl-2-(6-methyloxan-3-yl)-3,4-dihydro-2H-pyran?

The canonical SMILES for 5-methyl-2-(6-methyloxan-3-yl)-3,4-dihydro-2H-pyran is CC1=COC(C2CCC(C)OC2)CC1.

What is the InChIKey of 5-methyl-2-(6-methyloxan-3-yl)-3,4-dihydro-2H-pyran?

The InChIKey is VVSUMQHYDAKYPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c1-9-3-6-12(14-7-9)11-5-4-10(2)13-8-11/h7,10-12H,3-6,8H2,1-2H3.

What are the key properties of 5-methyl-2-(6-methyloxan-3-yl)-3,4-dihydro-2H-pyran?

5-methyl-2-(6-methyloxan-3-yl)-3,4-dihydro-2H-pyran has a molecular weight of 196.29 g/mol, XLogP of 2.88, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 5-methyl-2-(6-methyloxan-3-yl)-3,4-dihydro-2H-pyran is sourced from PubChem (CID 126703828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 126703828 — identifiers, structure, computed properties (public domain)

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