tert-butyl-dimethyl-[2,4,4-trimethyl-3-[(1E)-3-methylbuta-1,3-dienyl]cyclohex-2-en-1-yl]oxysilane

C20H36OSi — CID 44521640

About tert-butyl-dimethyl-[2,4,4-trimethyl-3-[(1E)-3-methylbuta-1,3-dienyl]cyclohex-2-en-1-yl]oxysilane

tert-butyl-dimethyl-[2,4,4-trimethyl-3-[(1E)-3-methylbuta-1,3-dienyl]cyclohex-2-en-1-yl]oxysilane (PubChem CID 44521640) has the molecular formula C20H36OSi and a molecular weight of 320.59 g/mol. Its IUPAC name is tert-butyl-dimethyl-[2,4,4-trimethyl-3-[(1E)-3-methylbuta-1,3-dienyl]cyclohex-2-en-1-yl]oxysilane.

Molecular Properties

• Compound Name: tert-butyl-dimethyl-[2,4,4-trimethyl-3-[(1E)-3-methylbuta-1,3-dienyl]cyclohex-2-en-1-yl]oxysilane
• PubChem CID: 44521640
• Molecular Formula: C20H36OSi
• Molecular Weight: 320.59 g/mol
• Exact Mass: 320.25
• IUPAC Name: tert-butyl-dimethyl-[2,4,4-trimethyl-3-[(1E)-3-methylbuta-1,3-dienyl]cyclohex-2-en-1-yl]oxysilane
• SMILES: C=C(C)/C=C/C1=C(C)C(O[Si](C)(C)C(C)(C)C)CCC1(C)C
• InChI: InChI=1S/C20H36OSi/c1-15(2)11-12-17-16(3)18(13-14-20(17,7)8)21-22(9,10)19(4,5)6/h11-12,18H,1,13-14H2,2-10H3/b12-11+
• InChIKey: RGRHAELYPHITAP-VAWYXSNFSA-N
• XLogP: 6.65
• TPSA: 9.23 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 4
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	320.59
LogP ≤ 5	6.65
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[2,4,4-trimethyl-3-[(1E)-3-methylbuta-1,3-dienyl]cyclohex-2-en-1-yl]oxysilane?

The IUPAC name of tert-butyl-dimethyl-[2,4,4-trimethyl-3-[(1E)-3-methylbuta-1,3-dienyl]cyclohex-2-en-1-yl]oxysilane (CID 44521640) is tert-butyl-dimethyl-[2,4,4-trimethyl-3-[(1E)-3-methylbuta-1,3-dienyl]cyclohex-2-en-1-yl]oxysilane.

What is the SMILES notation for tert-butyl-dimethyl-[2,4,4-trimethyl-3-[(1E)-3-methylbuta-1,3-dienyl]cyclohex-2-en-1-yl]oxysilane?

The canonical SMILES for tert-butyl-dimethyl-[2,4,4-trimethyl-3-[(1E)-3-methylbuta-1,3-dienyl]cyclohex-2-en-1-yl]oxysilane is C=C(C)/C=C/C1=C(C)C(O[Si](C)(C)C(C)(C)C)CCC1(C)C.

What is the InChIKey of tert-butyl-dimethyl-[2,4,4-trimethyl-3-[(1E)-3-methylbuta-1,3-dienyl]cyclohex-2-en-1-yl]oxysilane?

The InChIKey is RGRHAELYPHITAP-VAWYXSNFSA-N. The full InChI is InChI=1S/C20H36OSi/c1-15(2)11-12-17-16(3)18(13-14-20(17,7)8)21-22(9,10)19(4,5)6/h11-12,18H,1,13-14H2,2-10H3/b12-11+.

What are the key properties of tert-butyl-dimethyl-[2,4,4-trimethyl-3-[(1E)-3-methylbuta-1,3-dienyl]cyclohex-2-en-1-yl]oxysilane?

tert-butyl-dimethyl-[2,4,4-trimethyl-3-[(1E)-3-methylbuta-1,3-dienyl]cyclohex-2-en-1-yl]oxysilane has a molecular weight of 320.59 g/mol, XLogP of 6.65, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-dimethyl-[2,4,4-trimethyl-3-[(1E)-3-methylbuta-1,3-dienyl]cyclohex-2-en-1-yl]oxysilane is sourced from PubChem (CID 44521640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).