(2R,3R)-2-ethyl-8,8-dimethyl-3-(3-methylbut-2-enyl)-7,9-dioxaspiro[4.5]decane

C₁₇H₃₀O₂ — CID 101031957

About (2R,3R)-2-ethyl-8,8-dimethyl-3-(3-methylbut-2-enyl)-7,9-dioxaspiro[4.5]decane

(2R,3R)-2-ethyl-8,8-dimethyl-3-(3-methylbut-2-enyl)-7,9-dioxaspiro[4.5]decane (PubChem CID 101031957) has the molecular formula C₁₇H₃₀O₂ and a molecular weight of 266.42 g/mol. Its IUPAC name is (2R,3R)-2-ethyl-8,8-dimethyl-3-(3-methylbut-2-enyl)-7,9-dioxaspiro[4.5]decane.

Molecular Properties

• Compound Name: (2R,3R)-2-ethyl-8,8-dimethyl-3-(3-methylbut-2-enyl)-7,9-dioxaspiro[4.5]decane
• PubChem CID: 101031957
• Molecular Formula: C₁₇H₃₀O₂
• Molecular Weight: 266.42 g/mol
• Exact Mass: 266.22
• IUPAC Name: (2R,3R)-2-ethyl-8,8-dimethyl-3-(3-methylbut-2-enyl)-7,9-dioxaspiro[4.5]decane
• SMILES: CC[C@@H]1CC2(COC(C)(C)OC2)C[C@H]1CC=C(C)C
• InChI: InChI=1S/C17H30O2/c1-6-14-9-17(10-15(14)8-7-13(2)3)11-18-16(4,5)19-12-17/h7,14-15H,6,8-12H2,1-5H3/t14-,15-/m1/s1
• InChIKey: VOJRJFBXSBJNHI-HUUCEWRRSA-N
• XLogP: 4.55
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	266.42
LogP ≤ 5	4.55
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-ethyl-8,8-dimethyl-3-(3-methylbut-2-enyl)-7,9-dioxaspiro[4.5]decane?

The IUPAC name of (2R,3R)-2-ethyl-8,8-dimethyl-3-(3-methylbut-2-enyl)-7,9-dioxaspiro[4.5]decane (CID 101031957) is (2R,3R)-2-ethyl-8,8-dimethyl-3-(3-methylbut-2-enyl)-7,9-dioxaspiro[4.5]decane.

What is the SMILES notation for (2R,3R)-2-ethyl-8,8-dimethyl-3-(3-methylbut-2-enyl)-7,9-dioxaspiro[4.5]decane?

The canonical SMILES for (2R,3R)-2-ethyl-8,8-dimethyl-3-(3-methylbut-2-enyl)-7,9-dioxaspiro[4.5]decane is CC[C@@H]1CC2(COC(C)(C)OC2)C[C@H]1CC=C(C)C.

What is the InChIKey of (2R,3R)-2-ethyl-8,8-dimethyl-3-(3-methylbut-2-enyl)-7,9-dioxaspiro[4.5]decane?

The InChIKey is VOJRJFBXSBJNHI-HUUCEWRRSA-N. The full InChI is InChI=1S/C17H30O2/c1-6-14-9-17(10-15(14)8-7-13(2)3)11-18-16(4,5)19-12-17/h7,14-15H,6,8-12H2,1-5H3/t14-,15-/m1/s1.

What are the key properties of (2R,3R)-2-ethyl-8,8-dimethyl-3-(3-methylbut-2-enyl)-7,9-dioxaspiro[4.5]decane?

(2R,3R)-2-ethyl-8,8-dimethyl-3-(3-methylbut-2-enyl)-7,9-dioxaspiro[4.5]decane has a molecular weight of 266.42 g/mol, XLogP of 4.55, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3R)-2-ethyl-8,8-dimethyl-3-(3-methylbut-2-enyl)-7,9-dioxaspiro[4.5]decane is sourced from PubChem (CID 101031957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 101031957 — identifiers, structure, computed properties (public domain)

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