(4S,7S,9S,10R,11S,12R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,6,9,10,11-pentamethyl-2,8-dioxatetracyclo[8.2.1.04,12.07,11]tridec-5-en-13-one

C23H38O4Si — CID 134945351

About (4S,7S,9S,10R,11S,12R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,6,9,10,11-pentamethyl-2,8-dioxatetracyclo[8.2.1.04,12.07,11]tridec-5-en-13-one

(4S,7S,9S,10R,11S,12R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,6,9,10,11-pentamethyl-2,8-dioxatetracyclo[8.2.1.04,12.07,11]tridec-5-en-13-one (PubChem CID 134945351) has the molecular formula C23H38O4Si and a molecular weight of 406.64 g/mol. Its IUPAC name is (4S,7S,9S,10R,11S,12R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,6,9,10,11-pentamethyl-2,8-dioxatetracyclo[8.2.1.04,12.07,11]tridec-5-en-13-one.

Molecular Properties

• Compound Name: (4S,7S,9S,10R,11S,12R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,6,9,10,11-pentamethyl-2,8-dioxatetracyclo[8.2.1.04,12.07,11]tridec-5-en-13-one
• PubChem CID: 134945351
• Molecular Formula: C23H38O4Si
• Molecular Weight: 406.64 g/mol
• Exact Mass: 406.25
• IUPAC Name: (4S,7S,9S,10R,11S,12R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,6,9,10,11-pentamethyl-2,8-dioxatetracyclo[8.2.1.04,12.07,11]tridec-5-en-13-one
• SMILES: CC1=C[C@@]2(CO[Si](C)(C)C(C)(C)C)COC3(C)C(=O)[C@@]4(C)[C@H](C)O[C@@H]1[C@@]4(C)[C@H]32
• InChI: InChI=1S/C23H38O4Si/c1-14-11-23(13-26-28(9,10)19(3,4)5)12-25-22(8)17(23)21(7)16(14)27-15(2)20(21,6)18(22)24/h11,15-17H,12-13H2,1-10H3/t15-,16-,17+,20+,21-,22?,23-/m0/s1
• InChIKey: NTXMJQMHACRJEL-WSOGDWPKSA-N
• XLogP: 4.74
• TPSA: 44.76 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	406.64
LogP ≤ 5	4.74
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

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 (4S,7S,9S,10R,11S,12R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,6,9,10,11-pentamethyl-2,8-dioxatetracyclo[8.2.1.04,12.07,11]tridec-5-en-13-one?

The IUPAC name of (4S,7S,9S,10R,11S,12R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,6,9,10,11-pentamethyl-2,8-dioxatetracyclo[8.2.1.04,12.07,11]tridec-5-en-13-one (CID 134945351) is (4S,7S,9S,10R,11S,12R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,6,9,10,11-pentamethyl-2,8-dioxatetracyclo[8.2.1.04,12.07,11]tridec-5-en-13-one.

What is the SMILES notation for (4S,7S,9S,10R,11S,12R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,6,9,10,11-pentamethyl-2,8-dioxatetracyclo[8.2.1.04,12.07,11]tridec-5-en-13-one?

The canonical SMILES for (4S,7S,9S,10R,11S,12R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,6,9,10,11-pentamethyl-2,8-dioxatetracyclo[8.2.1.04,12.07,11]tridec-5-en-13-one is CC1=C[C@@]2(CO[Si](C)(C)C(C)(C)C)COC3(C)C(=O)[C@@]4(C)[C@H](C)O[C@@H]1[C@@]4(C)[C@H]32.

What is the InChIKey of (4S,7S,9S,10R,11S,12R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,6,9,10,11-pentamethyl-2,8-dioxatetracyclo[8.2.1.04,12.07,11]tridec-5-en-13-one?

The InChIKey is NTXMJQMHACRJEL-WSOGDWPKSA-N. The full InChI is InChI=1S/C23H38O4Si/c1-14-11-23(13-26-28(9,10)19(3,4)5)12-25-22(8)17(23)21(7)16(14)27-15(2)20(21,6)18(22)24/h11,15-17H,12-13H2,1-10H3/t15-,16-,17+,20+,21-,22?,23-/m0/s1.

What are the key properties of (4S,7S,9S,10R,11S,12R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,6,9,10,11-pentamethyl-2,8-dioxatetracyclo[8.2.1.04,12.07,11]tridec-5-en-13-one?

(4S,7S,9S,10R,11S,12R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,6,9,10,11-pentamethyl-2,8-dioxatetracyclo[8.2.1.04,12.07,11]tridec-5-en-13-one has a molecular weight of 406.64 g/mol, XLogP of 4.74, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (4S,7S,9S,10R,11S,12R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,6,9,10,11-pentamethyl-2,8-dioxatetracyclo[8.2.1.04,12.07,11]tridec-5-en-13-one is sourced from PubChem (CID 134945351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).