tert-butyl-[(1S,2S,3E)-2-ethenyl-2-methyl-3-(1-trimethylsilylbut-3-enylidene)cyclopentyl]oxy-dimethylsilane

C21H40OSi2 — CID 102384075

About tert-butyl-[(1S,2S,3E)-2-ethenyl-2-methyl-3-(1-trimethylsilylbut-3-enylidene)cyclopentyl]oxy-dimethylsilane

tert-butyl-[(1S,2S,3E)-2-ethenyl-2-methyl-3-(1-trimethylsilylbut-3-enylidene)cyclopentyl]oxy-dimethylsilane (PubChem CID 102384075) has the molecular formula C21H40OSi2 and a molecular weight of 364.72 g/mol. Its IUPAC name is tert-butyl-[(1S,2S,3E)-2-ethenyl-2-methyl-3-(1-trimethylsilylbut-3-enylidene)cyclopentyl]oxy-dimethylsilane.

Molecular Properties

• Compound Name: tert-butyl-[(1S,2S,3E)-2-ethenyl-2-methyl-3-(1-trimethylsilylbut-3-enylidene)cyclopentyl]oxy-dimethylsilane
• PubChem CID: 102384075
• Molecular Formula: C21H40OSi2
• Molecular Weight: 364.72 g/mol
• Exact Mass: 364.26
• IUPAC Name: tert-butyl-[(1S,2S,3E)-2-ethenyl-2-methyl-3-(1-trimethylsilylbut-3-enylidene)cyclopentyl]oxy-dimethylsilane
• SMILES: C=CC/C(=C1/CC[C@H](O[Si](C)(C)C(C)(C)C)[C@@]1(C)C=C)[Si](C)(C)C
• InChI: InChI=1S/C21H40OSi2/c1-12-14-18(23(7,8)9)17-15-16-19(21(17,6)13-2)22-24(10,11)20(3,4)5/h12-13,19H,1-2,14-16H2,3-11H3/b18-17+/t19-,21-/m0/s1
• InChIKey: NRJDIFBUUOKSOY-FEUDMMEASA-N
• XLogP: 7.11
• 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	364.72
LogP ≤ 5	7.11
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'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(1S,2S,3E)-2-ethenyl-2-methyl-3-(1-trimethylsilylbut-3-enylidene)cyclopentyl]oxy-dimethylsilane?

The IUPAC name of tert-butyl-[(1S,2S,3E)-2-ethenyl-2-methyl-3-(1-trimethylsilylbut-3-enylidene)cyclopentyl]oxy-dimethylsilane (CID 102384075) is tert-butyl-[(1S,2S,3E)-2-ethenyl-2-methyl-3-(1-trimethylsilylbut-3-enylidene)cyclopentyl]oxy-dimethylsilane.

What is the SMILES notation for tert-butyl-[(1S,2S,3E)-2-ethenyl-2-methyl-3-(1-trimethylsilylbut-3-enylidene)cyclopentyl]oxy-dimethylsilane?

The canonical SMILES for tert-butyl-[(1S,2S,3E)-2-ethenyl-2-methyl-3-(1-trimethylsilylbut-3-enylidene)cyclopentyl]oxy-dimethylsilane is C=CC/C(=C1/CC[C@H](O[Si](C)(C)C(C)(C)C)[C@@]1(C)C=C)[Si](C)(C)C.

What is the InChIKey of tert-butyl-[(1S,2S,3E)-2-ethenyl-2-methyl-3-(1-trimethylsilylbut-3-enylidene)cyclopentyl]oxy-dimethylsilane?

The InChIKey is NRJDIFBUUOKSOY-FEUDMMEASA-N. The full InChI is InChI=1S/C21H40OSi2/c1-12-14-18(23(7,8)9)17-15-16-19(21(17,6)13-2)22-24(10,11)20(3,4)5/h12-13,19H,1-2,14-16H2,3-11H3/b18-17+/t19-,21-/m0/s1.

What are the key properties of tert-butyl-[(1S,2S,3E)-2-ethenyl-2-methyl-3-(1-trimethylsilylbut-3-enylidene)cyclopentyl]oxy-dimethylsilane?

tert-butyl-[(1S,2S,3E)-2-ethenyl-2-methyl-3-(1-trimethylsilylbut-3-enylidene)cyclopentyl]oxy-dimethylsilane has a molecular weight of 364.72 g/mol, XLogP of 7.11, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-[(1S,2S,3E)-2-ethenyl-2-methyl-3-(1-trimethylsilylbut-3-enylidene)cyclopentyl]oxy-dimethylsilane is sourced from PubChem (CID 102384075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).