tetramethyl (3E,8E)-10-[2-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-1-methoxycarbonylcyclopropyl]deca-3,8-diene-1,1,6,6-tetracarboxylate

C31H48O11Si — CID 10841625

About tetramethyl (3E,8E)-10-[2-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-1-methoxycarbonylcyclopropyl]deca-3,8-diene-1,1,6,6-tetracarboxylate

tetramethyl (3E,8E)-10-[2-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-1-methoxycarbonylcyclopropyl]deca-3,8-diene-1,1,6,6-tetracarboxylate (PubChem CID 10841625) has the molecular formula C31H48O11Si and a molecular weight of 624.80 g/mol. Its IUPAC name is tetramethyl (3E,8E)-10-[2-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-1-methoxycarbonylcyclopropyl]deca-3,8-diene-1,1,6,6-tetracarboxylate.

Molecular Properties

• Compound Name: tetramethyl (3E,8E)-10-[2-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-1-methoxycarbonylcyclopropyl]deca-3,8-diene-1,1,6,6-tetracarboxylate
• PubChem CID: 10841625
• Molecular Formula: C31H48O11Si
• Molecular Weight: 624.80 g/mol
• Exact Mass: 624.30
• IUPAC Name: tetramethyl (3E,8E)-10-[2-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-1-methoxycarbonylcyclopropyl]deca-3,8-diene-1,1,6,6-tetracarboxylate
• SMILES: C=CC1(O[Si](C)(C)C(C)(C)C)CC1(C/C=C/CC(C/C=C/CC(C(=O)OC)C(=O)OC)(C(=O)OC)C(=O)OC)C(=O)OC
• InChI: InChI=1S/C31H48O11Si/c1-12-31(42-43(10,11)28(2,3)4)21-30(31,27(36)41-9)20-16-15-19-29(25(34)39-7,26(35)40-8)18-14-13-17-22(23(32)37-5)24(33)38-6/h12-16,22H,1,17-21H2,2-11H3/b14-13+,16-15+
• InChIKey: WOJJMWDBDXRIHO-ZBMVRHCNSA-N
• XLogP: 4.46
• TPSA: 140.73 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 16
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	624.80
LogP ≤ 5	4.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tetramethyl (3E,8E)-10-[2-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-1-methoxycarbonylcyclopropyl]deca-3,8-diene-1,1,6,6-tetracarboxylate?

The IUPAC name of tetramethyl (3E,8E)-10-[2-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-1-methoxycarbonylcyclopropyl]deca-3,8-diene-1,1,6,6-tetracarboxylate (CID 10841625) is tetramethyl (3E,8E)-10-[2-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-1-methoxycarbonylcyclopropyl]deca-3,8-diene-1,1,6,6-tetracarboxylate.

What is the SMILES notation for tetramethyl (3E,8E)-10-[2-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-1-methoxycarbonylcyclopropyl]deca-3,8-diene-1,1,6,6-tetracarboxylate?

The canonical SMILES for tetramethyl (3E,8E)-10-[2-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-1-methoxycarbonylcyclopropyl]deca-3,8-diene-1,1,6,6-tetracarboxylate is C=CC1(O[Si](C)(C)C(C)(C)C)CC1(C/C=C/CC(C/C=C/CC(C(=O)OC)C(=O)OC)(C(=O)OC)C(=O)OC)C(=O)OC.

What is the InChIKey of tetramethyl (3E,8E)-10-[2-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-1-methoxycarbonylcyclopropyl]deca-3,8-diene-1,1,6,6-tetracarboxylate?

The InChIKey is WOJJMWDBDXRIHO-ZBMVRHCNSA-N. The full InChI is InChI=1S/C31H48O11Si/c1-12-31(42-43(10,11)28(2,3)4)21-30(31,27(36)41-9)20-16-15-19-29(25(34)39-7,26(35)40-8)18-14-13-17-22(23(32)37-5)24(33)38-6/h12-16,22H,1,17-21H2,2-11H3/b14-13+,16-15+.

What are the key properties of tetramethyl (3E,8E)-10-[2-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-1-methoxycarbonylcyclopropyl]deca-3,8-diene-1,1,6,6-tetracarboxylate?

tetramethyl (3E,8E)-10-[2-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-1-methoxycarbonylcyclopropyl]deca-3,8-diene-1,1,6,6-tetracarboxylate has a molecular weight of 624.80 g/mol, XLogP of 4.46, 16 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for tetramethyl (3E,8E)-10-[2-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-1-methoxycarbonylcyclopropyl]deca-3,8-diene-1,1,6,6-tetracarboxylate is sourced from PubChem (CID 10841625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).