tert-butyl-[3-[(1S,2R,3R)-2-ethenyl-2,3-dimethyl-6-propan-2-ylidenecyclohexyl]propoxy]-dimethylsilane

C22H42OSi — CID 24997218

About tert-butyl-[3-[(1S,2R,3R)-2-ethenyl-2,3-dimethyl-6-propan-2-ylidenecyclohexyl]propoxy]-dimethylsilane

tert-butyl-[3-[(1S,2R,3R)-2-ethenyl-2,3-dimethyl-6-propan-2-ylidenecyclohexyl]propoxy]-dimethylsilane (PubChem CID 24997218) has the molecular formula C22H42OSi and a molecular weight of 350.66 g/mol. Its IUPAC name is tert-butyl-[3-[(1S,2R,3R)-2-ethenyl-2,3-dimethyl-6-propan-2-ylidenecyclohexyl]propoxy]-dimethylsilane.

Molecular Properties

• Compound Name: tert-butyl-[3-[(1S,2R,3R)-2-ethenyl-2,3-dimethyl-6-propan-2-ylidenecyclohexyl]propoxy]-dimethylsilane
• PubChem CID: 24997218
• Molecular Formula: C22H42OSi
• Molecular Weight: 350.66 g/mol
• Exact Mass: 350.30
• IUPAC Name: tert-butyl-[3-[(1S,2R,3R)-2-ethenyl-2,3-dimethyl-6-propan-2-ylidenecyclohexyl]propoxy]-dimethylsilane
• SMILES: C=C[C@]1(C)[C@H](C)CCC(=C(C)C)[C@H]1CCCO[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C22H42OSi/c1-11-22(8)18(4)14-15-19(17(2)3)20(22)13-12-16-23-24(9,10)21(5,6)7/h11,18,20H,1,12-16H2,2-10H3/t18-,20-,22-/m1/s1
• InChIKey: OWEFZSPCTUINFL-SYYKKAFVSA-N
• XLogP: 7.36
• TPSA: 9.23 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 6
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	350.66
LogP ≤ 5	7.36
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[3-[(1S,2R,3R)-2-ethenyl-2,3-dimethyl-6-propan-2-ylidenecyclohexyl]propoxy]-dimethylsilane?

The IUPAC name of tert-butyl-[3-[(1S,2R,3R)-2-ethenyl-2,3-dimethyl-6-propan-2-ylidenecyclohexyl]propoxy]-dimethylsilane (CID 24997218) is tert-butyl-[3-[(1S,2R,3R)-2-ethenyl-2,3-dimethyl-6-propan-2-ylidenecyclohexyl]propoxy]-dimethylsilane.

What is the SMILES notation for tert-butyl-[3-[(1S,2R,3R)-2-ethenyl-2,3-dimethyl-6-propan-2-ylidenecyclohexyl]propoxy]-dimethylsilane?

The canonical SMILES for tert-butyl-[3-[(1S,2R,3R)-2-ethenyl-2,3-dimethyl-6-propan-2-ylidenecyclohexyl]propoxy]-dimethylsilane is C=C[C@]1(C)[C@H](C)CCC(=C(C)C)[C@H]1CCCO[Si](C)(C)C(C)(C)C.

What is the InChIKey of tert-butyl-[3-[(1S,2R,3R)-2-ethenyl-2,3-dimethyl-6-propan-2-ylidenecyclohexyl]propoxy]-dimethylsilane?

The InChIKey is OWEFZSPCTUINFL-SYYKKAFVSA-N. The full InChI is InChI=1S/C22H42OSi/c1-11-22(8)18(4)14-15-19(17(2)3)20(22)13-12-16-23-24(9,10)21(5,6)7/h11,18,20H,1,12-16H2,2-10H3/t18-,20-,22-/m1/s1.

What are the key properties of tert-butyl-[3-[(1S,2R,3R)-2-ethenyl-2,3-dimethyl-6-propan-2-ylidenecyclohexyl]propoxy]-dimethylsilane?

tert-butyl-[3-[(1S,2R,3R)-2-ethenyl-2,3-dimethyl-6-propan-2-ylidenecyclohexyl]propoxy]-dimethylsilane has a molecular weight of 350.66 g/mol, XLogP of 7.36, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-[3-[(1S,2R,3R)-2-ethenyl-2,3-dimethyl-6-propan-2-ylidenecyclohexyl]propoxy]-dimethylsilane is sourced from PubChem (CID 24997218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).