[(E)-[10-tert-butyl-3,3-dimethyl-9-[(E)-prop-1-enyl]-2,4-dioxaspiro[5.5]undec-9-en-8-ylidene]methyl]-trimethylsilane

C22H38O2Si — CID 134899913

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

[(E)-[10-tert-butyl-3,3-dimethyl-9-[(E)-prop-1-enyl]-2,4-dioxaspiro[5.5]undec-9-en-8-ylidene]methyl]-trimethylsilane (PubChem CID 134899913) has the molecular formula C22H38O2Si and a molecular weight of 362.63 g/mol. Its IUPAC name is [(E)-[10-tert-butyl-3,3-dimethyl-9-[(E)-prop-1-enyl]-2,4-dioxaspiro[5.5]undec-9-en-8-ylidene]methyl]-trimethylsilane.

Molecular Properties

• Compound Name: [(E)-[10-tert-butyl-3,3-dimethyl-9-[(E)-prop-1-enyl]-2,4-dioxaspiro[5.5]undec-9-en-8-ylidene]methyl]-trimethylsilane
• PubChem CID: 134899913
• Molecular Formula: C22H38O2Si
• Molecular Weight: 362.63 g/mol
• Exact Mass: 362.26
• IUPAC Name: [(E)-[10-tert-butyl-3,3-dimethyl-9-[(E)-prop-1-enyl]-2,4-dioxaspiro[5.5]undec-9-en-8-ylidene]methyl]-trimethylsilane
• SMILES: C/C=C/C1=C(C(C)(C)C)CC2(COC(C)(C)OC2)C/C1=C\[Si](C)(C)C
• 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/h10-11,14H,12-13,15-16H2,1-9H3/b11-10+,17-14+
• InChIKey: JJAVNUKQKCEVAH-PKAMWHFSSA-N
• XLogP: 6.27
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	362.63
LogP ≤ 5	6.27
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 [(E)-[10-tert-butyl-3,3-dimethyl-9-[(E)-prop-1-enyl]-2,4-dioxaspiro[5.5]undec-9-en-8-ylidene]methyl]-trimethylsilane?

The IUPAC name of [(E)-[10-tert-butyl-3,3-dimethyl-9-[(E)-prop-1-enyl]-2,4-dioxaspiro[5.5]undec-9-en-8-ylidene]methyl]-trimethylsilane (CID 134899913) is [(E)-[10-tert-butyl-3,3-dimethyl-9-[(E)-prop-1-enyl]-2,4-dioxaspiro[5.5]undec-9-en-8-ylidene]methyl]-trimethylsilane.

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

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

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

The InChIKey is JJAVNUKQKCEVAH-PKAMWHFSSA-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/h10-11,14H,12-13,15-16H2,1-9H3/b11-10+,17-14+.

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

[(E)-[10-tert-butyl-3,3-dimethyl-9-[(E)-prop-1-enyl]-2,4-dioxaspiro[5.5]undec-9-en-8-ylidene]methyl]-trimethylsilane has a molecular weight of 362.63 g/mol, XLogP of 6.27, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for [(E)-[10-tert-butyl-3,3-dimethyl-9-[(E)-prop-1-enyl]-2,4-dioxaspiro[5.5]undec-9-en-8-ylidene]methyl]-trimethylsilane is sourced from PubChem (CID 134899913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).