ethyl (6S,8R,9R,10R)-10-[tert-butyl(dimethyl)silyl]oxy-5,5,9-trimethyl-4-oxo-8-propan-2-yl-1,7-dioxaspiro[5.5]undec-2-ene-2-carboxylate

C24H42O6Si — CID 134969883

About ethyl (6S,8R,9R,10R)-10-[tert-butyl(dimethyl)silyl]oxy-5,5,9-trimethyl-4-oxo-8-propan-2-yl-1,7-dioxaspiro[5.5]undec-2-ene-2-carboxylate

ethyl (6S,8R,9R,10R)-10-[tert-butyl(dimethyl)silyl]oxy-5,5,9-trimethyl-4-oxo-8-propan-2-yl-1,7-dioxaspiro[5.5]undec-2-ene-2-carboxylate (PubChem CID 134969883) has the molecular formula C24H42O6Si and a molecular weight of 454.68 g/mol. Its IUPAC name is ethyl (6S,8R,9R,10R)-10-[tert-butyl(dimethyl)silyl]oxy-5,5,9-trimethyl-4-oxo-8-propan-2-yl-1,7-dioxaspiro[5.5]undec-2-ene-2-carboxylate.

Molecular Properties

• Compound Name: ethyl (6S,8R,9R,10R)-10-[tert-butyl(dimethyl)silyl]oxy-5,5,9-trimethyl-4-oxo-8-propan-2-yl-1,7-dioxaspiro[5.5]undec-2-ene-2-carboxylate
• PubChem CID: 134969883
• Molecular Formula: C24H42O6Si
• Molecular Weight: 454.68 g/mol
• Exact Mass: 454.28
• IUPAC Name: ethyl (6S,8R,9R,10R)-10-[tert-butyl(dimethyl)silyl]oxy-5,5,9-trimethyl-4-oxo-8-propan-2-yl-1,7-dioxaspiro[5.5]undec-2-ene-2-carboxylate
• SMILES: CCOC(=O)C1=CC(=O)C(C)(C)[C@]2(C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)[C@@H](C(C)C)O2)O1
• InChI: InChI=1S/C24H42O6Si/c1-12-27-21(26)17-13-19(25)23(8,9)24(28-17)14-18(16(4)20(29-24)15(2)3)30-31(10,11)22(5,6)7/h13,15-16,18,20H,12,14H2,1-11H3/t16-,18+,20+,24+/m0/s1
• InChIKey: HSHADDHFWGKMQD-XXDRUXBBSA-N
• XLogP: 5.23
• TPSA: 71.06 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	454.68
LogP ≤ 5	5.23
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of ethyl (6S,8R,9R,10R)-10-[tert-butyl(dimethyl)silyl]oxy-5,5,9-trimethyl-4-oxo-8-propan-2-yl-1,7-dioxaspiro[5.5]undec-2-ene-2-carboxylate?

The IUPAC name of ethyl (6S,8R,9R,10R)-10-[tert-butyl(dimethyl)silyl]oxy-5,5,9-trimethyl-4-oxo-8-propan-2-yl-1,7-dioxaspiro[5.5]undec-2-ene-2-carboxylate (CID 134969883) is ethyl (6S,8R,9R,10R)-10-[tert-butyl(dimethyl)silyl]oxy-5,5,9-trimethyl-4-oxo-8-propan-2-yl-1,7-dioxaspiro[5.5]undec-2-ene-2-carboxylate.

What is the SMILES notation for ethyl (6S,8R,9R,10R)-10-[tert-butyl(dimethyl)silyl]oxy-5,5,9-trimethyl-4-oxo-8-propan-2-yl-1,7-dioxaspiro[5.5]undec-2-ene-2-carboxylate?

The canonical SMILES for ethyl (6S,8R,9R,10R)-10-[tert-butyl(dimethyl)silyl]oxy-5,5,9-trimethyl-4-oxo-8-propan-2-yl-1,7-dioxaspiro[5.5]undec-2-ene-2-carboxylate is CCOC(=O)C1=CC(=O)C(C)(C)[C@]2(C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)[C@@H](C(C)C)O2)O1.

What is the InChIKey of ethyl (6S,8R,9R,10R)-10-[tert-butyl(dimethyl)silyl]oxy-5,5,9-trimethyl-4-oxo-8-propan-2-yl-1,7-dioxaspiro[5.5]undec-2-ene-2-carboxylate?

The InChIKey is HSHADDHFWGKMQD-XXDRUXBBSA-N. The full InChI is InChI=1S/C24H42O6Si/c1-12-27-21(26)17-13-19(25)23(8,9)24(28-17)14-18(16(4)20(29-24)15(2)3)30-31(10,11)22(5,6)7/h13,15-16,18,20H,12,14H2,1-11H3/t16-,18+,20+,24+/m0/s1.

What are the key properties of ethyl (6S,8R,9R,10R)-10-[tert-butyl(dimethyl)silyl]oxy-5,5,9-trimethyl-4-oxo-8-propan-2-yl-1,7-dioxaspiro[5.5]undec-2-ene-2-carboxylate?

ethyl (6S,8R,9R,10R)-10-[tert-butyl(dimethyl)silyl]oxy-5,5,9-trimethyl-4-oxo-8-propan-2-yl-1,7-dioxaspiro[5.5]undec-2-ene-2-carboxylate has a molecular weight of 454.68 g/mol, XLogP of 5.23, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl (6S,8R,9R,10R)-10-[tert-butyl(dimethyl)silyl]oxy-5,5,9-trimethyl-4-oxo-8-propan-2-yl-1,7-dioxaspiro[5.5]undec-2-ene-2-carboxylate is sourced from PubChem (CID 134969883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).