(2R,3R,4R,6R)-6-tert-butyl-2,4-dimethyl-5,7-dioxaspiro[2.5]octan-8-one

C₁₂H₂₀O₃ — CID 15362395

About (2R,3R,4R,6R)-6-tert-butyl-2,4-dimethyl-5,7-dioxaspiro[2.5]octan-8-one

(2R,3R,4R,6R)-6-tert-butyl-2,4-dimethyl-5,7-dioxaspiro[2.5]octan-8-one (PubChem CID 15362395) has the molecular formula C₁₂H₂₀O₃ and a molecular weight of 212.29 g/mol. Its IUPAC name is (2R,3R,4R,6R)-6-tert-butyl-2,4-dimethyl-5,7-dioxaspiro[2.5]octan-8-one.

Molecular Properties

• Compound Name: (2R,3R,4R,6R)-6-tert-butyl-2,4-dimethyl-5,7-dioxaspiro[2.5]octan-8-one
• PubChem CID: 15362395
• Molecular Formula: C₁₂H₂₀O₃
• Molecular Weight: 212.29 g/mol
• Exact Mass: 212.14
• IUPAC Name: (2R,3R,4R,6R)-6-tert-butyl-2,4-dimethyl-5,7-dioxaspiro[2.5]octan-8-one
• SMILES: C[C@@H]1C[C@@]12C(=O)O[C@H](C(C)(C)C)O[C@@H]2C
• InChI: InChI=1S/C12H20O3/c1-7-6-12(7)8(2)14-10(11(3,4)5)15-9(12)13/h7-8,10H,6H2,1-5H3/t7-,8-,10-,12-/m1/s1
• InChIKey: VEYKFGHLNRULLI-FWSPBBIJSA-N
• XLogP: 2.35
• TPSA: 35.53 Ų
• H-Bond Acceptors: 3
• Heavy Atoms: 15
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	212.29
LogP ≤ 5	2.35
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,6R)-6-tert-butyl-2,4-dimethyl-5,7-dioxaspiro[2.5]octan-8-one?

The IUPAC name of (2R,3R,4R,6R)-6-tert-butyl-2,4-dimethyl-5,7-dioxaspiro[2.5]octan-8-one (CID 15362395) is (2R,3R,4R,6R)-6-tert-butyl-2,4-dimethyl-5,7-dioxaspiro[2.5]octan-8-one.

What is the SMILES notation for (2R,3R,4R,6R)-6-tert-butyl-2,4-dimethyl-5,7-dioxaspiro[2.5]octan-8-one?

The canonical SMILES for (2R,3R,4R,6R)-6-tert-butyl-2,4-dimethyl-5,7-dioxaspiro[2.5]octan-8-one is C[C@@H]1C[C@@]12C(=O)O[C@H](C(C)(C)C)O[C@@H]2C.

What is the InChIKey of (2R,3R,4R,6R)-6-tert-butyl-2,4-dimethyl-5,7-dioxaspiro[2.5]octan-8-one?

The InChIKey is VEYKFGHLNRULLI-FWSPBBIJSA-N. The full InChI is InChI=1S/C12H20O3/c1-7-6-12(7)8(2)14-10(11(3,4)5)15-9(12)13/h7-8,10H,6H2,1-5H3/t7-,8-,10-,12-/m1/s1.

What are the key properties of (2R,3R,4R,6R)-6-tert-butyl-2,4-dimethyl-5,7-dioxaspiro[2.5]octan-8-one?

(2R,3R,4R,6R)-6-tert-butyl-2,4-dimethyl-5,7-dioxaspiro[2.5]octan-8-one has a molecular weight of 212.29 g/mol, XLogP of 2.35, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3R,4R,6R)-6-tert-butyl-2,4-dimethyl-5,7-dioxaspiro[2.5]octan-8-one is sourced from PubChem (CID 15362395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 15362395 — identifiers, structure, computed properties (public domain)

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