[(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] (E,2Z)-2-(trimethylsilylmethylidene)dec-3-enoate

C30H48O2Si — CID 11431309

About [(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] (E,2Z)-2-(trimethylsilylmethylidene)dec-3-enoate

[(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] (E,2Z)-2-(trimethylsilylmethylidene)dec-3-enoate (PubChem CID 11431309) has the molecular formula C30H48O2Si and a molecular weight of 468.80 g/mol. Its IUPAC name is [(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] (E,2Z)-2-(trimethylsilylmethylidene)dec-3-enoate.

Molecular Properties

• Compound Name: [(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] (E,2Z)-2-(trimethylsilylmethylidene)dec-3-enoate
• PubChem CID: 11431309
• Molecular Formula: C30H48O2Si
• Molecular Weight: 468.80 g/mol
• Exact Mass: 468.34
• IUPAC Name: [(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] (E,2Z)-2-(trimethylsilylmethylidene)dec-3-enoate
• SMILES: CCCCCC/C=C/C(=C/[Si](C)(C)C)C(=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)(C)c1ccccc1
• InChI: InChI=1S/C30H48O2Si/c1-8-9-10-11-12-14-17-25(23-33(5,6)7)29(31)32-28-22-24(2)20-21-27(28)30(3,4)26-18-15-13-16-19-26/h13-19,23-24,27-28H,8-12,20-22H2,1-7H3/b17-14+,25-23-/t24-,27-,28-/m1/s1
• InChIKey: DPKFHTISQGUXTI-OBODABIYSA-N
• XLogP: 8.64
• TPSA: 26.30 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 11
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	468.80
LogP ≤ 5	8.64
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': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] (E,2Z)-2-(trimethylsilylmethylidene)dec-3-enoate?

The IUPAC name of [(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] (E,2Z)-2-(trimethylsilylmethylidene)dec-3-enoate (CID 11431309) is [(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] (E,2Z)-2-(trimethylsilylmethylidene)dec-3-enoate.

What is the SMILES notation for [(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] (E,2Z)-2-(trimethylsilylmethylidene)dec-3-enoate?

The canonical SMILES for [(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] (E,2Z)-2-(trimethylsilylmethylidene)dec-3-enoate is CCCCCC/C=C/C(=C/[Si](C)(C)C)C(=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)(C)c1ccccc1.

What is the InChIKey of [(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] (E,2Z)-2-(trimethylsilylmethylidene)dec-3-enoate?

The InChIKey is DPKFHTISQGUXTI-OBODABIYSA-N. The full InChI is InChI=1S/C30H48O2Si/c1-8-9-10-11-12-14-17-25(23-33(5,6)7)29(31)32-28-22-24(2)20-21-27(28)30(3,4)26-18-15-13-16-19-26/h13-19,23-24,27-28H,8-12,20-22H2,1-7H3/b17-14+,25-23-/t24-,27-,28-/m1/s1.

What are the key properties of [(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] (E,2Z)-2-(trimethylsilylmethylidene)dec-3-enoate?

[(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] (E,2Z)-2-(trimethylsilylmethylidene)dec-3-enoate has a molecular weight of 468.80 g/mol, XLogP of 8.64, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for [(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] (E,2Z)-2-(trimethylsilylmethylidene)dec-3-enoate is sourced from PubChem (CID 11431309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).