tert-butyl-[(2S)-1-[(2R,6S)-6-ethenyl-4-methylideneoxan-2-yl]pent-4-en-2-yl]oxy-dimethylsilane

C19H34O2Si — CID 11515310

About tert-butyl-[(2S)-1-[(2R,6S)-6-ethenyl-4-methylideneoxan-2-yl]pent-4-en-2-yl]oxy-dimethylsilane

tert-butyl-[(2S)-1-[(2R,6S)-6-ethenyl-4-methylideneoxan-2-yl]pent-4-en-2-yl]oxy-dimethylsilane (PubChem CID 11515310) has the molecular formula C19H34O2Si and a molecular weight of 322.57 g/mol. Its IUPAC name is tert-butyl-[(2S)-1-[(2R,6S)-6-ethenyl-4-methylideneoxan-2-yl]pent-4-en-2-yl]oxy-dimethylsilane.

Molecular Properties

• Compound Name: tert-butyl-[(2S)-1-[(2R,6S)-6-ethenyl-4-methylideneoxan-2-yl]pent-4-en-2-yl]oxy-dimethylsilane
• PubChem CID: 11515310
• Molecular Formula: C19H34O2Si
• Molecular Weight: 322.57 g/mol
• Exact Mass: 322.23
• IUPAC Name: tert-butyl-[(2S)-1-[(2R,6S)-6-ethenyl-4-methylideneoxan-2-yl]pent-4-en-2-yl]oxy-dimethylsilane
• SMILES: C=CC[C@@H](C[C@H]1CC(=C)C[C@@H](C=C)O1)O[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C19H34O2Si/c1-9-11-17(21-22(7,8)19(4,5)6)14-18-13-15(3)12-16(10-2)20-18/h9-10,16-18H,1-3,11-14H2,4-8H3/t16-,17+,18-/m1/s1
• InChIKey: PMJAAAUBKQGAPJ-FGTMMUONSA-N
• XLogP: 5.63
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	322.57
LogP ≤ 5	5.63
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

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-[(2S)-1-[(2R,6S)-6-ethenyl-4-methylideneoxan-2-yl]pent-4-en-2-yl]oxy-dimethylsilane?

The IUPAC name of tert-butyl-[(2S)-1-[(2R,6S)-6-ethenyl-4-methylideneoxan-2-yl]pent-4-en-2-yl]oxy-dimethylsilane (CID 11515310) is tert-butyl-[(2S)-1-[(2R,6S)-6-ethenyl-4-methylideneoxan-2-yl]pent-4-en-2-yl]oxy-dimethylsilane.

What is the SMILES notation for tert-butyl-[(2S)-1-[(2R,6S)-6-ethenyl-4-methylideneoxan-2-yl]pent-4-en-2-yl]oxy-dimethylsilane?

The canonical SMILES for tert-butyl-[(2S)-1-[(2R,6S)-6-ethenyl-4-methylideneoxan-2-yl]pent-4-en-2-yl]oxy-dimethylsilane is C=CC[C@@H](C[C@H]1CC(=C)C[C@@H](C=C)O1)O[Si](C)(C)C(C)(C)C.

What is the InChIKey of tert-butyl-[(2S)-1-[(2R,6S)-6-ethenyl-4-methylideneoxan-2-yl]pent-4-en-2-yl]oxy-dimethylsilane?

The InChIKey is PMJAAAUBKQGAPJ-FGTMMUONSA-N. The full InChI is InChI=1S/C19H34O2Si/c1-9-11-17(21-22(7,8)19(4,5)6)14-18-13-15(3)12-16(10-2)20-18/h9-10,16-18H,1-3,11-14H2,4-8H3/t16-,17+,18-/m1/s1.

What are the key properties of tert-butyl-[(2S)-1-[(2R,6S)-6-ethenyl-4-methylideneoxan-2-yl]pent-4-en-2-yl]oxy-dimethylsilane?

tert-butyl-[(2S)-1-[(2R,6S)-6-ethenyl-4-methylideneoxan-2-yl]pent-4-en-2-yl]oxy-dimethylsilane has a molecular weight of 322.57 g/mol, XLogP of 5.63, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-[(2S)-1-[(2R,6S)-6-ethenyl-4-methylideneoxan-2-yl]pent-4-en-2-yl]oxy-dimethylsilane is sourced from PubChem (CID 11515310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).