triethyl-[(3R,6S)-3-methyl-6-[(2S)-6-methyl-2-trimethylsilyloxyhept-5-en-2-yl]cyclohexen-1-yl]oxysilane

C24H48O2Si2 — CID 132510973

About triethyl-[(3R,6S)-3-methyl-6-[(2S)-6-methyl-2-trimethylsilyloxyhept-5-en-2-yl]cyclohexen-1-yl]oxysilane

triethyl-[(3R,6S)-3-methyl-6-[(2S)-6-methyl-2-trimethylsilyloxyhept-5-en-2-yl]cyclohexen-1-yl]oxysilane (PubChem CID 132510973) has the molecular formula C24H48O2Si2 and a molecular weight of 424.82 g/mol. Its IUPAC name is triethyl-[(3R,6S)-3-methyl-6-[(2S)-6-methyl-2-trimethylsilyloxyhept-5-en-2-yl]cyclohexen-1-yl]oxysilane.

Molecular Properties

• Compound Name: triethyl-[(3R,6S)-3-methyl-6-[(2S)-6-methyl-2-trimethylsilyloxyhept-5-en-2-yl]cyclohexen-1-yl]oxysilane
• PubChem CID: 132510973
• Molecular Formula: C24H48O2Si2
• Molecular Weight: 424.82 g/mol
• Exact Mass: 424.32
• IUPAC Name: triethyl-[(3R,6S)-3-methyl-6-[(2S)-6-methyl-2-trimethylsilyloxyhept-5-en-2-yl]cyclohexen-1-yl]oxysilane
• SMILES: CC[Si](CC)(CC)OC1=C[C@H](C)CC[C@H]1[C@](C)(CCC=C(C)C)O[Si](C)(C)C
• InChI: InChI=1S/C24H48O2Si2/c1-11-28(12-2,13-3)25-23-19-21(6)16-17-22(23)24(7,26-27(8,9)10)18-14-15-20(4)5/h15,19,21-22H,11-14,16-18H2,1-10H3/t21-,22-,24+/m1/s1
• InChIKey: TYCXCPVLWOBJEJ-AKFKNWHVSA-N
• XLogP: 8.29
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 11
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	424.82
LogP ≤ 5	8.29
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 triethyl-[(3R,6S)-3-methyl-6-[(2S)-6-methyl-2-trimethylsilyloxyhept-5-en-2-yl]cyclohexen-1-yl]oxysilane?

The IUPAC name of triethyl-[(3R,6S)-3-methyl-6-[(2S)-6-methyl-2-trimethylsilyloxyhept-5-en-2-yl]cyclohexen-1-yl]oxysilane (CID 132510973) is triethyl-[(3R,6S)-3-methyl-6-[(2S)-6-methyl-2-trimethylsilyloxyhept-5-en-2-yl]cyclohexen-1-yl]oxysilane.

What is the SMILES notation for triethyl-[(3R,6S)-3-methyl-6-[(2S)-6-methyl-2-trimethylsilyloxyhept-5-en-2-yl]cyclohexen-1-yl]oxysilane?

The canonical SMILES for triethyl-[(3R,6S)-3-methyl-6-[(2S)-6-methyl-2-trimethylsilyloxyhept-5-en-2-yl]cyclohexen-1-yl]oxysilane is CC[Si](CC)(CC)OC1=C[C@H](C)CC[C@H]1[C@](C)(CCC=C(C)C)O[Si](C)(C)C.

What is the InChIKey of triethyl-[(3R,6S)-3-methyl-6-[(2S)-6-methyl-2-trimethylsilyloxyhept-5-en-2-yl]cyclohexen-1-yl]oxysilane?

The InChIKey is TYCXCPVLWOBJEJ-AKFKNWHVSA-N. The full InChI is InChI=1S/C24H48O2Si2/c1-11-28(12-2,13-3)25-23-19-21(6)16-17-22(23)24(7,26-27(8,9)10)18-14-15-20(4)5/h15,19,21-22H,11-14,16-18H2,1-10H3/t21-,22-,24+/m1/s1.

What are the key properties of triethyl-[(3R,6S)-3-methyl-6-[(2S)-6-methyl-2-trimethylsilyloxyhept-5-en-2-yl]cyclohexen-1-yl]oxysilane?

triethyl-[(3R,6S)-3-methyl-6-[(2S)-6-methyl-2-trimethylsilyloxyhept-5-en-2-yl]cyclohexen-1-yl]oxysilane has a molecular weight of 424.82 g/mol, XLogP of 8.29, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for triethyl-[(3R,6S)-3-methyl-6-[(2S)-6-methyl-2-trimethylsilyloxyhept-5-en-2-yl]cyclohexen-1-yl]oxysilane is sourced from PubChem (CID 132510973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).