2,2-dimethyl-5-(2-methylpropyl)-1,3-dioxane

C₁₀H₂₀O₂ — CID 15006025

About 2,2-dimethyl-5-(2-methylpropyl)-1,3-dioxane

2,2-dimethyl-5-(2-methylpropyl)-1,3-dioxane (PubChem CID 15006025) has the molecular formula C₁₀H₂₀O₂ and a molecular weight of 172.27 g/mol. Its IUPAC name is 2,2-dimethyl-5-(2-methylpropyl)-1,3-dioxane.

Molecular Properties

• Compound Name: 2,2-dimethyl-5-(2-methylpropyl)-1,3-dioxane
• PubChem CID: 15006025
• Molecular Formula: C₁₀H₂₀O₂
• Molecular Weight: 172.27 g/mol
• Exact Mass: 172.15
• IUPAC Name: 2,2-dimethyl-5-(2-methylpropyl)-1,3-dioxane
• SMILES: CC(C)CC1COC(C)(C)OC1
• InChI: InChI=1S/C10H20O2/c1-8(2)5-9-6-11-10(3,4)12-7-9/h8-9H,5-7H2,1-4H3
• InChIKey: JSUHXMWFVNEMPN-UHFFFAOYSA-N
• XLogP: 2.43
• 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	172.27
LogP ≤ 5	2.43
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-5-(2-methylpropyl)-1,3-dioxane?

The IUPAC name of 2,2-dimethyl-5-(2-methylpropyl)-1,3-dioxane (CID 15006025) is 2,2-dimethyl-5-(2-methylpropyl)-1,3-dioxane.

What is the SMILES notation for 2,2-dimethyl-5-(2-methylpropyl)-1,3-dioxane?

The canonical SMILES for 2,2-dimethyl-5-(2-methylpropyl)-1,3-dioxane is CC(C)CC1COC(C)(C)OC1.

What is the InChIKey of 2,2-dimethyl-5-(2-methylpropyl)-1,3-dioxane?

The InChIKey is JSUHXMWFVNEMPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-8(2)5-9-6-11-10(3,4)12-7-9/h8-9H,5-7H2,1-4H3.

What are the key properties of 2,2-dimethyl-5-(2-methylpropyl)-1,3-dioxane?

2,2-dimethyl-5-(2-methylpropyl)-1,3-dioxane has a molecular weight of 172.27 g/mol, XLogP of 2.43, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2,2-dimethyl-5-(2-methylpropyl)-1,3-dioxane is sourced from PubChem (CID 15006025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 15006025 — identifiers, structure, computed properties (public domain)

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