(3R,3'R,4'S,5'R)-1-[(2E)-3,7-dimethylocta-2,6-dienyl]-4'-[hydroxy(dimethyl)silyl]-5'-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-3'-methyl-5-(2-oxo-1,3-oxazolidin-3-yl)spiro[indole-3,2'-oxolane]-2-one

C34H49N3O7Si — CID 23928524

About (3R,3'R,4'S,5'R)-1-[(2E)-3,7-dimethylocta-2,6-dienyl]-4'-[hydroxy(dimethyl)silyl]-5'-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-3'-methyl-5-(2-oxo-1,3-oxazolidin-3-yl)spiro[indole-3,2'-oxolane]-2-one

(3R,3'R,4'S,5'R)-1-[(2E)-3,7-dimethylocta-2,6-dienyl]-4'-[hydroxy(dimethyl)silyl]-5'-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-3'-methyl-5-(2-oxo-1,3-oxazolidin-3-yl)spiro[indole-3,2'-oxolane]-2-one (PubChem CID 23928524) has the molecular formula C34H49N3O7Si and a molecular weight of 639.87 g/mol. Its IUPAC name is (3R,3'R,4'S,5'R)-1-[(2E)-3,7-dimethylocta-2,6-dienyl]-4'-[hydroxy(dimethyl)silyl]-5'-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-3'-methyl-5-(2-oxo-1,3-oxazolidin-3-yl)spiro[indole-3,2'-oxolane]-2-one.

Molecular Properties

• Compound Name: (3R,3'R,4'S,5'R)-1-[(2E)-3,7-dimethylocta-2,6-dienyl]-4'-[hydroxy(dimethyl)silyl]-5'-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-3'-methyl-5-(2-oxo-1,3-oxazolidin-3-yl)spiro[indole-3,2'-oxolane]-2-one
• PubChem CID: 23928524
• Molecular Formula: C34H49N3O7Si
• Molecular Weight: 639.87 g/mol
• Exact Mass: 639.33
• IUPAC Name: (3R,3'R,4'S,5'R)-1-[(2E)-3,7-dimethylocta-2,6-dienyl]-4'-[hydroxy(dimethyl)silyl]-5'-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-3'-methyl-5-(2-oxo-1,3-oxazolidin-3-yl)spiro[indole-3,2'-oxolane]-2-one
• SMILES: CC(C)=CCC/C(C)=C/CN1C(=O)[C@]2(O[C@H](CC(=O)N3CCC[C@H]3CO)[C@@H]([Si](C)(C)O)[C@@H]2C)c2cc(N3CCOC3=O)ccc21
• InChI: InChI=1S/C34H49N3O7Si/c1-22(2)9-7-10-23(3)14-16-37-28-13-12-25(36-17-18-43-33(36)41)19-27(28)34(32(37)40)24(4)31(45(5,6)42)29(44-34)20-30(39)35-15-8-11-26(35)21-38/h9,12-14,19,24,26,29,31,38,42H,7-8,10-11,15-18,20-21H2,1-6H3/b23-14+/t24-,26-,29+,31-,34+/m0/s1
• InChIKey: XQCQXVBDPFHHEO-LRTAQYNHSA-N
• XLogP: 4.85
• TPSA: 119.85 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	639.87
LogP ≤ 5	4.85
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

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 (3R,3'R,4'S,5'R)-1-[(2E)-3,7-dimethylocta-2,6-dienyl]-4'-[hydroxy(dimethyl)silyl]-5'-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-3'-methyl-5-(2-oxo-1,3-oxazolidin-3-yl)spiro[indole-3,2'-oxolane]-2-one?

The IUPAC name of (3R,3'R,4'S,5'R)-1-[(2E)-3,7-dimethylocta-2,6-dienyl]-4'-[hydroxy(dimethyl)silyl]-5'-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-3'-methyl-5-(2-oxo-1,3-oxazolidin-3-yl)spiro[indole-3,2'-oxolane]-2-one (CID 23928524) is (3R,3'R,4'S,5'R)-1-[(2E)-3,7-dimethylocta-2,6-dienyl]-4'-[hydroxy(dimethyl)silyl]-5'-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-3'-methyl-5-(2-oxo-1,3-oxazolidin-3-yl)spiro[indole-3,2'-oxolane]-2-one.

What is the SMILES notation for (3R,3'R,4'S,5'R)-1-[(2E)-3,7-dimethylocta-2,6-dienyl]-4'-[hydroxy(dimethyl)silyl]-5'-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-3'-methyl-5-(2-oxo-1,3-oxazolidin-3-yl)spiro[indole-3,2'-oxolane]-2-one?

The canonical SMILES for (3R,3'R,4'S,5'R)-1-[(2E)-3,7-dimethylocta-2,6-dienyl]-4'-[hydroxy(dimethyl)silyl]-5'-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-3'-methyl-5-(2-oxo-1,3-oxazolidin-3-yl)spiro[indole-3,2'-oxolane]-2-one is CC(C)=CCC/C(C)=C/CN1C(=O)[C@]2(O[C@H](CC(=O)N3CCC[C@H]3CO)[C@@H]([Si](C)(C)O)[C@@H]2C)c2cc(N3CCOC3=O)ccc21.

What is the InChIKey of (3R,3'R,4'S,5'R)-1-[(2E)-3,7-dimethylocta-2,6-dienyl]-4'-[hydroxy(dimethyl)silyl]-5'-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-3'-methyl-5-(2-oxo-1,3-oxazolidin-3-yl)spiro[indole-3,2'-oxolane]-2-one?

The InChIKey is XQCQXVBDPFHHEO-LRTAQYNHSA-N. The full InChI is InChI=1S/C34H49N3O7Si/c1-22(2)9-7-10-23(3)14-16-37-28-13-12-25(36-17-18-43-33(36)41)19-27(28)34(32(37)40)24(4)31(45(5,6)42)29(44-34)20-30(39)35-15-8-11-26(35)21-38/h9,12-14,19,24,26,29,31,38,42H,7-8,10-11,15-18,20-21H2,1-6H3/b23-14+/t24-,26-,29+,31-,34+/m0/s1.

What are the key properties of (3R,3'R,4'S,5'R)-1-[(2E)-3,7-dimethylocta-2,6-dienyl]-4'-[hydroxy(dimethyl)silyl]-5'-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-3'-methyl-5-(2-oxo-1,3-oxazolidin-3-yl)spiro[indole-3,2'-oxolane]-2-one?

(3R,3'R,4'S,5'R)-1-[(2E)-3,7-dimethylocta-2,6-dienyl]-4'-[hydroxy(dimethyl)silyl]-5'-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-3'-methyl-5-(2-oxo-1,3-oxazolidin-3-yl)spiro[indole-3,2'-oxolane]-2-one has a molecular weight of 639.87 g/mol, XLogP of 4.85, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (3R,3'R,4'S,5'R)-1-[(2E)-3,7-dimethylocta-2,6-dienyl]-4'-[hydroxy(dimethyl)silyl]-5'-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-3'-methyl-5-(2-oxo-1,3-oxazolidin-3-yl)spiro[indole-3,2'-oxolane]-2-one is sourced from PubChem (CID 23928524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).