(4R,5S)-1-prop-2-enyl-4-[1-[2,4,6-tri(propan-2-yl)phenyl]ethoxy]-5-[(1R)-1-tri(propan-2-yl)silyloxyprop-2-enyl]pyrrolidin-2-one

C36H61NO3Si — CID 101419342

About (4R,5S)-1-prop-2-enyl-4-[1-[2,4,6-tri(propan-2-yl)phenyl]ethoxy]-5-[(1R)-1-tri(propan-2-yl)silyloxyprop-2-enyl]pyrrolidin-2-one

(4R,5S)-1-prop-2-enyl-4-[1-[2,4,6-tri(propan-2-yl)phenyl]ethoxy]-5-[(1R)-1-tri(propan-2-yl)silyloxyprop-2-enyl]pyrrolidin-2-one (PubChem CID 101419342) has the molecular formula C36H61NO3Si and a molecular weight of 583.97 g/mol. Its IUPAC name is (4R,5S)-1-prop-2-enyl-4-[1-[2,4,6-tri(propan-2-yl)phenyl]ethoxy]-5-[(1R)-1-tri(propan-2-yl)silyloxyprop-2-enyl]pyrrolidin-2-one.

Molecular Properties

• Compound Name: (4R,5S)-1-prop-2-enyl-4-[1-[2,4,6-tri(propan-2-yl)phenyl]ethoxy]-5-[(1R)-1-tri(propan-2-yl)silyloxyprop-2-enyl]pyrrolidin-2-one
• PubChem CID: 101419342
• Molecular Formula: C36H61NO3Si
• Molecular Weight: 583.97 g/mol
• Exact Mass: 583.44
• IUPAC Name: (4R,5S)-1-prop-2-enyl-4-[1-[2,4,6-tri(propan-2-yl)phenyl]ethoxy]-5-[(1R)-1-tri(propan-2-yl)silyloxyprop-2-enyl]pyrrolidin-2-one
• SMILES: C=CCN1C(=O)C[C@@H](OC(C)c2c(C(C)C)cc(C(C)C)cc2C(C)C)[C@H]1[C@@H](C=C)O[Si](C(C)C)(C(C)C)C(C)C
• InChI: InChI=1S/C36H61NO3Si/c1-16-18-37-34(38)21-33(36(37)32(17-2)40-41(25(9)10,26(11)12)27(13)14)39-28(15)35-30(23(5)6)19-29(22(3)4)20-31(35)24(7)8/h16-17,19-20,22-28,32-33,36H,1-2,18,21H2,3-15H3/t28?,32-,33-,36-/m1/s1
• InChIKey: DUYZFLGZQMBLOO-OFDIJMKCSA-N
• XLogP: 10.04
• TPSA: 38.77 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 15
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	583.97
LogP ≤ 5	10.04
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

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 (4R,5S)-1-prop-2-enyl-4-[1-[2,4,6-tri(propan-2-yl)phenyl]ethoxy]-5-[(1R)-1-tri(propan-2-yl)silyloxyprop-2-enyl]pyrrolidin-2-one?

The IUPAC name of (4R,5S)-1-prop-2-enyl-4-[1-[2,4,6-tri(propan-2-yl)phenyl]ethoxy]-5-[(1R)-1-tri(propan-2-yl)silyloxyprop-2-enyl]pyrrolidin-2-one (CID 101419342) is (4R,5S)-1-prop-2-enyl-4-[1-[2,4,6-tri(propan-2-yl)phenyl]ethoxy]-5-[(1R)-1-tri(propan-2-yl)silyloxyprop-2-enyl]pyrrolidin-2-one.

What is the SMILES notation for (4R,5S)-1-prop-2-enyl-4-[1-[2,4,6-tri(propan-2-yl)phenyl]ethoxy]-5-[(1R)-1-tri(propan-2-yl)silyloxyprop-2-enyl]pyrrolidin-2-one?

The canonical SMILES for (4R,5S)-1-prop-2-enyl-4-[1-[2,4,6-tri(propan-2-yl)phenyl]ethoxy]-5-[(1R)-1-tri(propan-2-yl)silyloxyprop-2-enyl]pyrrolidin-2-one is C=CCN1C(=O)C[C@@H](OC(C)c2c(C(C)C)cc(C(C)C)cc2C(C)C)[C@H]1[C@@H](C=C)O[Si](C(C)C)(C(C)C)C(C)C.

What is the InChIKey of (4R,5S)-1-prop-2-enyl-4-[1-[2,4,6-tri(propan-2-yl)phenyl]ethoxy]-5-[(1R)-1-tri(propan-2-yl)silyloxyprop-2-enyl]pyrrolidin-2-one?

The InChIKey is DUYZFLGZQMBLOO-OFDIJMKCSA-N. The full InChI is InChI=1S/C36H61NO3Si/c1-16-18-37-34(38)21-33(36(37)32(17-2)40-41(25(9)10,26(11)12)27(13)14)39-28(15)35-30(23(5)6)19-29(22(3)4)20-31(35)24(7)8/h16-17,19-20,22-28,32-33,36H,1-2,18,21H2,3-15H3/t28?,32-,33-,36-/m1/s1.

What are the key properties of (4R,5S)-1-prop-2-enyl-4-[1-[2,4,6-tri(propan-2-yl)phenyl]ethoxy]-5-[(1R)-1-tri(propan-2-yl)silyloxyprop-2-enyl]pyrrolidin-2-one?

(4R,5S)-1-prop-2-enyl-4-[1-[2,4,6-tri(propan-2-yl)phenyl]ethoxy]-5-[(1R)-1-tri(propan-2-yl)silyloxyprop-2-enyl]pyrrolidin-2-one has a molecular weight of 583.97 g/mol, XLogP of 10.04, 15 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (4R,5S)-1-prop-2-enyl-4-[1-[2,4,6-tri(propan-2-yl)phenyl]ethoxy]-5-[(1R)-1-tri(propan-2-yl)silyloxyprop-2-enyl]pyrrolidin-2-one is sourced from PubChem (CID 101419342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).