[8-tert-butyl-3,3-dimethyl-9-[(E)-prop-1-enyl]-2,4-dioxaspiro[5.5]undeca-8,10-dien-10-yl]methyl-trimethylsilane

C₂₂H₃₈O₂Si — CID 134899915

About [8-tert-butyl-3,3-dimethyl-9-[(E)-prop-1-enyl]-2,4-dioxaspiro[5.5]undeca-8,10-dien-10-yl]methyl-trimethylsilane

[8-tert-butyl-3,3-dimethyl-9-[(E)-prop-1-enyl]-2,4-dioxaspiro[5.5]undeca-8,10-dien-10-yl]methyl-trimethylsilane (PubChem CID 134899915) has the molecular formula C₂₂H₃₈O₂Si and a molecular weight of 362.63 g/mol. Its IUPAC name is [8-tert-butyl-3,3-dimethyl-9-[(E)-prop-1-enyl]-2,4-dioxaspiro[5.5]undeca-8,10-dien-10-yl]methyl-trimethylsilane.

Molecular Properties

• Compound Name: [8-tert-butyl-3,3-dimethyl-9-[(E)-prop-1-enyl]-2,4-dioxaspiro[5.5]undeca-8,10-dien-10-yl]methyl-trimethylsilane
• PubChem CID: 134899915
• Molecular Formula: C₂₂H₃₈O₂Si
• Molecular Weight: 362.63 g/mol
• Exact Mass: 362.26
• IUPAC Name: [8-tert-butyl-3,3-dimethyl-9-[(E)-prop-1-enyl]-2,4-dioxaspiro[5.5]undeca-8,10-dien-10-yl]methyl-trimethylsilane
• SMILES: C/C=C/C1=C(C(C)(C)C)CC2(C=C1C[Si](C)(C)C)COC(C)(C)OC2
• InChI: InChI=1S/C22H38O2Si/c1-10-11-18-17(14-25(7,8)9)12-22(13-19(18)20(2,3)4)15-23-21(5,6)24-16-22/h10-12H,13-16H2,1-9H3/b11-10+
• InChIKey: QGSHMANIXUGAOV-ZHACJKMWSA-N
• XLogP: 6.34
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	362.63
LogP ≤ 5	6.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [8-tert-butyl-3,3-dimethyl-9-[(E)-prop-1-enyl]-2,4-dioxaspiro[5.5]undeca-8,10-dien-10-yl]methyl-trimethylsilane?

The IUPAC name of [8-tert-butyl-3,3-dimethyl-9-[(E)-prop-1-enyl]-2,4-dioxaspiro[5.5]undeca-8,10-dien-10-yl]methyl-trimethylsilane (CID 134899915) is [8-tert-butyl-3,3-dimethyl-9-[(E)-prop-1-enyl]-2,4-dioxaspiro[5.5]undeca-8,10-dien-10-yl]methyl-trimethylsilane.

What is the SMILES notation for [8-tert-butyl-3,3-dimethyl-9-[(E)-prop-1-enyl]-2,4-dioxaspiro[5.5]undeca-8,10-dien-10-yl]methyl-trimethylsilane?

The canonical SMILES for [8-tert-butyl-3,3-dimethyl-9-[(E)-prop-1-enyl]-2,4-dioxaspiro[5.5]undeca-8,10-dien-10-yl]methyl-trimethylsilane is C/C=C/C1=C(C(C)(C)C)CC2(C=C1C[Si](C)(C)C)COC(C)(C)OC2.

What is the InChIKey of [8-tert-butyl-3,3-dimethyl-9-[(E)-prop-1-enyl]-2,4-dioxaspiro[5.5]undeca-8,10-dien-10-yl]methyl-trimethylsilane?

The InChIKey is QGSHMANIXUGAOV-ZHACJKMWSA-N. The full InChI is InChI=1S/C22H38O2Si/c1-10-11-18-17(14-25(7,8)9)12-22(13-19(18)20(2,3)4)15-23-21(5,6)24-16-22/h10-12H,13-16H2,1-9H3/b11-10+.

What are the key properties of [8-tert-butyl-3,3-dimethyl-9-[(E)-prop-1-enyl]-2,4-dioxaspiro[5.5]undeca-8,10-dien-10-yl]methyl-trimethylsilane?

[8-tert-butyl-3,3-dimethyl-9-[(E)-prop-1-enyl]-2,4-dioxaspiro[5.5]undeca-8,10-dien-10-yl]methyl-trimethylsilane has a molecular weight of 362.63 g/mol, XLogP of 6.34, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for [8-tert-butyl-3,3-dimethyl-9-[(E)-prop-1-enyl]-2,4-dioxaspiro[5.5]undeca-8,10-dien-10-yl]methyl-trimethylsilane is sourced from PubChem (CID 134899915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 134899915 — identifiers, structure, computed properties (public domain)

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