9,9,12-trimethyl-8,10-dioxadispiro[4.0.56.45]pentadec-13-ene

C₁₆H₂₆O₂ — CID 141221883

About 9,9,12-trimethyl-8,10-dioxadispiro[4.0.56.45]pentadec-13-ene

9,9,12-trimethyl-8,10-dioxadispiro[4.0.56.45]pentadec-13-ene (PubChem CID 141221883) has the molecular formula C₁₆H₂₆O₂ and a molecular weight of 250.38 g/mol. Its IUPAC name is 9,9,12-trimethyl-8,10-dioxadispiro[4.0.56.45]pentadec-13-ene.

Molecular Properties

• Compound Name: 9,9,12-trimethyl-8,10-dioxadispiro[4.0.56.45]pentadec-13-ene
• PubChem CID: 141221883
• Molecular Formula: C₁₆H₂₆O₂
• Molecular Weight: 250.38 g/mol
• Exact Mass: 250.19
• IUPAC Name: 9,9,12-trimethyl-8,10-dioxadispiro[4.0.56.45]pentadec-13-ene
• SMILES: CC1C=CCC2(CCCC2)C12COC(C)(C)OC2
• InChI: InChI=1S/C16H26O2/c1-13-7-6-10-15(8-4-5-9-15)16(13)11-17-14(2,3)18-12-16/h6-7,13H,4-5,8-12H2,1-3H3
• InChIKey: XHJXHGSCYAMDBP-UHFFFAOYSA-N
• XLogP: 3.91
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Heavy Atoms: 18
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	250.38
LogP ≤ 5	3.91
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 9,9,12-trimethyl-8,10-dioxadispiro[4.0.56.45]pentadec-13-ene?

The IUPAC name of 9,9,12-trimethyl-8,10-dioxadispiro[4.0.56.45]pentadec-13-ene (CID 141221883) is 9,9,12-trimethyl-8,10-dioxadispiro[4.0.56.45]pentadec-13-ene.

What is the SMILES notation for 9,9,12-trimethyl-8,10-dioxadispiro[4.0.56.45]pentadec-13-ene?

The canonical SMILES for 9,9,12-trimethyl-8,10-dioxadispiro[4.0.56.45]pentadec-13-ene is CC1C=CCC2(CCCC2)C12COC(C)(C)OC2.

What is the InChIKey of 9,9,12-trimethyl-8,10-dioxadispiro[4.0.56.45]pentadec-13-ene?

The InChIKey is XHJXHGSCYAMDBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O2/c1-13-7-6-10-15(8-4-5-9-15)16(13)11-17-14(2,3)18-12-16/h6-7,13H,4-5,8-12H2,1-3H3.

What are the key properties of 9,9,12-trimethyl-8,10-dioxadispiro[4.0.56.45]pentadec-13-ene?

9,9,12-trimethyl-8,10-dioxadispiro[4.0.56.45]pentadec-13-ene has a molecular weight of 250.38 g/mol, XLogP of 3.91, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 9,9,12-trimethyl-8,10-dioxadispiro[4.0.56.45]pentadec-13-ene is sourced from PubChem (CID 141221883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 141221883 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.