tert-butyl-dimethyl-[[(8Z)-8,15,15-trimethyl-4-methylidene-1-bicyclo[9.3.1]pentadeca-8,11-dien-2-ynyl]oxy]silane

C25H40OSi — CID 135922763

About tert-butyl-dimethyl-[[(8Z)-8,15,15-trimethyl-4-methylidene-1-bicyclo[9.3.1]pentadeca-8,11-dien-2-ynyl]oxy]silane

tert-butyl-dimethyl-[[(8Z)-8,15,15-trimethyl-4-methylidene-1-bicyclo[9.3.1]pentadeca-8,11-dien-2-ynyl]oxy]silane (PubChem CID 135922763) has the molecular formula C25H40OSi and a molecular weight of 384.68 g/mol. Its IUPAC name is tert-butyl-dimethyl-[[(8Z)-8,15,15-trimethyl-4-methylidene-1-bicyclo[9.3.1]pentadeca-8,11-dien-2-ynyl]oxy]silane.

Molecular Properties

• Compound Name: tert-butyl-dimethyl-[[(8Z)-8,15,15-trimethyl-4-methylidene-1-bicyclo[9.3.1]pentadeca-8,11-dien-2-ynyl]oxy]silane
• PubChem CID: 135922763
• Molecular Formula: C25H40OSi
• Molecular Weight: 384.68 g/mol
• Exact Mass: 384.28
• IUPAC Name: tert-butyl-dimethyl-[[(8Z)-8,15,15-trimethyl-4-methylidene-1-bicyclo[9.3.1]pentadeca-8,11-dien-2-ynyl]oxy]silane
• SMILES: C=C1C#CC2(O[Si](C)(C)C(C)(C)C)CCC=C(C/C=C(\C)CCC1)C2(C)C
• InChI: InChI=1S/C25H40OSi/c1-20-12-10-13-21(2)17-19-25(26-27(8,9)23(3,4)5)18-11-14-22(16-15-20)24(25,6)7/h14-15H,2,10-13,16,18H2,1,3-9H3/b20-15+
• InChIKey: LYCIHGGXUJIDAJ-HMMYKYKNSA-N
• XLogP: 7.57
• TPSA: 9.23 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 2
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	384.68
LogP ≤ 5	7.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[[(8Z)-8,15,15-trimethyl-4-methylidene-1-bicyclo[9.3.1]pentadeca-8,11-dien-2-ynyl]oxy]silane?

The IUPAC name of tert-butyl-dimethyl-[[(8Z)-8,15,15-trimethyl-4-methylidene-1-bicyclo[9.3.1]pentadeca-8,11-dien-2-ynyl]oxy]silane (CID 135922763) is tert-butyl-dimethyl-[[(8Z)-8,15,15-trimethyl-4-methylidene-1-bicyclo[9.3.1]pentadeca-8,11-dien-2-ynyl]oxy]silane.

What is the SMILES notation for tert-butyl-dimethyl-[[(8Z)-8,15,15-trimethyl-4-methylidene-1-bicyclo[9.3.1]pentadeca-8,11-dien-2-ynyl]oxy]silane?

The canonical SMILES for tert-butyl-dimethyl-[[(8Z)-8,15,15-trimethyl-4-methylidene-1-bicyclo[9.3.1]pentadeca-8,11-dien-2-ynyl]oxy]silane is C=C1C#CC2(O[Si](C)(C)C(C)(C)C)CCC=C(C/C=C(\C)CCC1)C2(C)C.

What is the InChIKey of tert-butyl-dimethyl-[[(8Z)-8,15,15-trimethyl-4-methylidene-1-bicyclo[9.3.1]pentadeca-8,11-dien-2-ynyl]oxy]silane?

The InChIKey is LYCIHGGXUJIDAJ-HMMYKYKNSA-N. The full InChI is InChI=1S/C25H40OSi/c1-20-12-10-13-21(2)17-19-25(26-27(8,9)23(3,4)5)18-11-14-22(16-15-20)24(25,6)7/h14-15H,2,10-13,16,18H2,1,3-9H3/b20-15+.

What are the key properties of tert-butyl-dimethyl-[[(8Z)-8,15,15-trimethyl-4-methylidene-1-bicyclo[9.3.1]pentadeca-8,11-dien-2-ynyl]oxy]silane?

tert-butyl-dimethyl-[[(8Z)-8,15,15-trimethyl-4-methylidene-1-bicyclo[9.3.1]pentadeca-8,11-dien-2-ynyl]oxy]silane has a molecular weight of 384.68 g/mol, XLogP of 7.57, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-dimethyl-[[(8Z)-8,15,15-trimethyl-4-methylidene-1-bicyclo[9.3.1]pentadeca-8,11-dien-2-ynyl]oxy]silane is sourced from PubChem (CID 135922763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).