ethyl (1R,2R,3R)-2-(2-methylprop-2-enyl)-3-[4-tri(propan-2-yl)silyloxybutyl]cyclopropane-1-carboxylate

C23H44O3Si — CID 138979451

About ethyl (1R,2R,3R)-2-(2-methylprop-2-enyl)-3-[4-tri(propan-2-yl)silyloxybutyl]cyclopropane-1-carboxylate

ethyl (1R,2R,3R)-2-(2-methylprop-2-enyl)-3-[4-tri(propan-2-yl)silyloxybutyl]cyclopropane-1-carboxylate (PubChem CID 138979451) has the molecular formula C23H44O3Si and a molecular weight of 396.69 g/mol. Its IUPAC name is ethyl (1R,2R,3R)-2-(2-methylprop-2-enyl)-3-[4-tri(propan-2-yl)silyloxybutyl]cyclopropane-1-carboxylate.

Molecular Properties

• Compound Name: ethyl (1R,2R,3R)-2-(2-methylprop-2-enyl)-3-[4-tri(propan-2-yl)silyloxybutyl]cyclopropane-1-carboxylate
• PubChem CID: 138979451
• Molecular Formula: C23H44O3Si
• Molecular Weight: 396.69 g/mol
• Exact Mass: 396.31
• IUPAC Name: ethyl (1R,2R,3R)-2-(2-methylprop-2-enyl)-3-[4-tri(propan-2-yl)silyloxybutyl]cyclopropane-1-carboxylate
• SMILES: C=C(C)C[C@@H]1[C@@H](CCCCO[Si](C(C)C)(C(C)C)C(C)C)[C@H]1C(=O)OCC
• InChI: InChI=1S/C23H44O3Si/c1-10-25-23(24)22-20(21(22)15-16(2)3)13-11-12-14-26-27(17(4)5,18(6)7)19(8)9/h17-22H,2,10-15H2,1,3-9H3/t20-,21-,22-/m1/s1
• InChIKey: BPAACIDOIJADAQ-YPAWHYETSA-N
• XLogP: 6.74
• TPSA: 35.53 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 13
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	396.69
LogP ≤ 5	6.74
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

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'}

Frequently Asked Questions

What is the IUPAC name of ethyl (1R,2R,3R)-2-(2-methylprop-2-enyl)-3-[4-tri(propan-2-yl)silyloxybutyl]cyclopropane-1-carboxylate?

The IUPAC name of ethyl (1R,2R,3R)-2-(2-methylprop-2-enyl)-3-[4-tri(propan-2-yl)silyloxybutyl]cyclopropane-1-carboxylate (CID 138979451) is ethyl (1R,2R,3R)-2-(2-methylprop-2-enyl)-3-[4-tri(propan-2-yl)silyloxybutyl]cyclopropane-1-carboxylate.

What is the SMILES notation for ethyl (1R,2R,3R)-2-(2-methylprop-2-enyl)-3-[4-tri(propan-2-yl)silyloxybutyl]cyclopropane-1-carboxylate?

The canonical SMILES for ethyl (1R,2R,3R)-2-(2-methylprop-2-enyl)-3-[4-tri(propan-2-yl)silyloxybutyl]cyclopropane-1-carboxylate is C=C(C)C[C@@H]1[C@@H](CCCCO[Si](C(C)C)(C(C)C)C(C)C)[C@H]1C(=O)OCC.

What is the InChIKey of ethyl (1R,2R,3R)-2-(2-methylprop-2-enyl)-3-[4-tri(propan-2-yl)silyloxybutyl]cyclopropane-1-carboxylate?

The InChIKey is BPAACIDOIJADAQ-YPAWHYETSA-N. The full InChI is InChI=1S/C23H44O3Si/c1-10-25-23(24)22-20(21(22)15-16(2)3)13-11-12-14-26-27(17(4)5,18(6)7)19(8)9/h17-22H,2,10-15H2,1,3-9H3/t20-,21-,22-/m1/s1.

What are the key properties of ethyl (1R,2R,3R)-2-(2-methylprop-2-enyl)-3-[4-tri(propan-2-yl)silyloxybutyl]cyclopropane-1-carboxylate?

ethyl (1R,2R,3R)-2-(2-methylprop-2-enyl)-3-[4-tri(propan-2-yl)silyloxybutyl]cyclopropane-1-carboxylate has a molecular weight of 396.69 g/mol, XLogP of 6.74, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl (1R,2R,3R)-2-(2-methylprop-2-enyl)-3-[4-tri(propan-2-yl)silyloxybutyl]cyclopropane-1-carboxylate is sourced from PubChem (CID 138979451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).