[(E)-9-[(2R,3R)-3-[2-[(2R)-3,3-dimethyloxiran-2-yl]ethyl]-3-methyloxiran-2-yl]-7-methylnon-6-en-2-ynyl]-trimethylsilane

C22H38O2Si — CID 134882890

About [(E)-9-[(2R,3R)-3-[2-[(2R)-3,3-dimethyloxiran-2-yl]ethyl]-3-methyloxiran-2-yl]-7-methylnon-6-en-2-ynyl]-trimethylsilane

[(E)-9-[(2R,3R)-3-[2-[(2R)-3,3-dimethyloxiran-2-yl]ethyl]-3-methyloxiran-2-yl]-7-methylnon-6-en-2-ynyl]-trimethylsilane (PubChem CID 134882890) has the molecular formula C22H38O2Si and a molecular weight of 362.63 g/mol. Its IUPAC name is [(E)-9-[(2R,3R)-3-[2-[(2R)-3,3-dimethyloxiran-2-yl]ethyl]-3-methyloxiran-2-yl]-7-methylnon-6-en-2-ynyl]-trimethylsilane.

Molecular Properties

• Compound Name: [(E)-9-[(2R,3R)-3-[2-[(2R)-3,3-dimethyloxiran-2-yl]ethyl]-3-methyloxiran-2-yl]-7-methylnon-6-en-2-ynyl]-trimethylsilane
• PubChem CID: 134882890
• Molecular Formula: C22H38O2Si
• Molecular Weight: 362.63 g/mol
• Exact Mass: 362.26
• IUPAC Name: [(E)-9-[(2R,3R)-3-[2-[(2R)-3,3-dimethyloxiran-2-yl]ethyl]-3-methyloxiran-2-yl]-7-methylnon-6-en-2-ynyl]-trimethylsilane
• SMILES: C/C(=C\CCC#CC[Si](C)(C)C)CC[C@H]1O[C@]1(C)CC[C@H]1OC1(C)C
• InChI: InChI=1S/C22H38O2Si/c1-18(12-10-8-9-11-17-25(5,6)7)13-14-20-22(4,24-20)16-15-19-21(2,3)23-19/h12,19-20H,8,10,13-17H2,1-7H3/b18-12+/t19-,20-,22-/m1/s1
• InChIKey: IQTDVSPJFMPYTB-RMFCFHNFSA-N
• XLogP: 5.95
• TPSA: 25.06 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 9
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	362.63
LogP ≤ 5	5.95
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

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'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(E)-9-[(2R,3R)-3-[2-[(2R)-3,3-dimethyloxiran-2-yl]ethyl]-3-methyloxiran-2-yl]-7-methylnon-6-en-2-ynyl]-trimethylsilane?

The IUPAC name of [(E)-9-[(2R,3R)-3-[2-[(2R)-3,3-dimethyloxiran-2-yl]ethyl]-3-methyloxiran-2-yl]-7-methylnon-6-en-2-ynyl]-trimethylsilane (CID 134882890) is [(E)-9-[(2R,3R)-3-[2-[(2R)-3,3-dimethyloxiran-2-yl]ethyl]-3-methyloxiran-2-yl]-7-methylnon-6-en-2-ynyl]-trimethylsilane.

What is the SMILES notation for [(E)-9-[(2R,3R)-3-[2-[(2R)-3,3-dimethyloxiran-2-yl]ethyl]-3-methyloxiran-2-yl]-7-methylnon-6-en-2-ynyl]-trimethylsilane?

The canonical SMILES for [(E)-9-[(2R,3R)-3-[2-[(2R)-3,3-dimethyloxiran-2-yl]ethyl]-3-methyloxiran-2-yl]-7-methylnon-6-en-2-ynyl]-trimethylsilane is C/C(=C\CCC#CC[Si](C)(C)C)CC[C@H]1O[C@]1(C)CC[C@H]1OC1(C)C.

What is the InChIKey of [(E)-9-[(2R,3R)-3-[2-[(2R)-3,3-dimethyloxiran-2-yl]ethyl]-3-methyloxiran-2-yl]-7-methylnon-6-en-2-ynyl]-trimethylsilane?

The InChIKey is IQTDVSPJFMPYTB-RMFCFHNFSA-N. The full InChI is InChI=1S/C22H38O2Si/c1-18(12-10-8-9-11-17-25(5,6)7)13-14-20-22(4,24-20)16-15-19-21(2,3)23-19/h12,19-20H,8,10,13-17H2,1-7H3/b18-12+/t19-,20-,22-/m1/s1.

What are the key properties of [(E)-9-[(2R,3R)-3-[2-[(2R)-3,3-dimethyloxiran-2-yl]ethyl]-3-methyloxiran-2-yl]-7-methylnon-6-en-2-ynyl]-trimethylsilane?

[(E)-9-[(2R,3R)-3-[2-[(2R)-3,3-dimethyloxiran-2-yl]ethyl]-3-methyloxiran-2-yl]-7-methylnon-6-en-2-ynyl]-trimethylsilane has a molecular weight of 362.63 g/mol, XLogP of 5.95, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for [(E)-9-[(2R,3R)-3-[2-[(2R)-3,3-dimethyloxiran-2-yl]ethyl]-3-methyloxiran-2-yl]-7-methylnon-6-en-2-ynyl]-trimethylsilane is sourced from PubChem (CID 134882890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).