4-[tert-butyl(dimethyl)silyl]oxy-6-[2-[6-[tert-butyl(dimethyl)silyl]oxy-8-(2-ethyl-2-methylpentoxy)-2-methyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]ethyl]oxan-2-one

C38H70O5Si2 — CID 67812885

About 4-[tert-butyl(dimethyl)silyl]oxy-6-[2-[6-[tert-butyl(dimethyl)silyl]oxy-8-(2-ethyl-2-methylpentoxy)-2-methyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]ethyl]oxan-2-one

4-[tert-butyl(dimethyl)silyl]oxy-6-[2-[6-[tert-butyl(dimethyl)silyl]oxy-8-(2-ethyl-2-methylpentoxy)-2-methyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]ethyl]oxan-2-one (PubChem CID 67812885) has the molecular formula C38H70O5Si2 and a molecular weight of 663.15 g/mol. Its IUPAC name is 4-[tert-butyl(dimethyl)silyl]oxy-6-[2-[6-[tert-butyl(dimethyl)silyl]oxy-8-(2-ethyl-2-methylpentoxy)-2-methyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]ethyl]oxan-2-one.

Molecular Properties

• Compound Name: 4-[tert-butyl(dimethyl)silyl]oxy-6-[2-[6-[tert-butyl(dimethyl)silyl]oxy-8-(2-ethyl-2-methylpentoxy)-2-methyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]ethyl]oxan-2-one
• PubChem CID: 67812885
• Molecular Formula: C38H70O5Si2
• Molecular Weight: 663.15 g/mol
• Exact Mass: 662.48
• IUPAC Name: 4-[tert-butyl(dimethyl)silyl]oxy-6-[2-[6-[tert-butyl(dimethyl)silyl]oxy-8-(2-ethyl-2-methylpentoxy)-2-methyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]ethyl]oxan-2-one
• SMILES: CCCC(C)(CC)COC1CC(O[Si](C)(C)C(C)(C)C)C=C2C=CC(C)C(CCC3CC(O[Si](C)(C)C(C)(C)C)CC(=O)O3)C21
• InChI: InChI=1S/C38H70O5Si2/c1-15-21-38(10,16-2)26-40-33-24-30(42-44(11,12)36(4,5)6)22-28-18-17-27(3)32(35(28)33)20-19-29-23-31(25-34(39)41-29)43-45(13,14)37(7,8)9/h17-18,22,27,29-33,35H,15-16,19-21,23-26H2,1-14H3
• InChIKey: KMEGETSPOBJTPN-UHFFFAOYSA-N
• XLogP: 10.62
• TPSA: 53.99 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 13
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	663.15
LogP ≤ 5	10.62
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxy-6-[2-[6-[tert-butyl(dimethyl)silyl]oxy-8-(2-ethyl-2-methylpentoxy)-2-methyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]ethyl]oxan-2-one?

The IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxy-6-[2-[6-[tert-butyl(dimethyl)silyl]oxy-8-(2-ethyl-2-methylpentoxy)-2-methyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]ethyl]oxan-2-one (CID 67812885) is 4-[tert-butyl(dimethyl)silyl]oxy-6-[2-[6-[tert-butyl(dimethyl)silyl]oxy-8-(2-ethyl-2-methylpentoxy)-2-methyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]ethyl]oxan-2-one.

What is the SMILES notation for 4-[tert-butyl(dimethyl)silyl]oxy-6-[2-[6-[tert-butyl(dimethyl)silyl]oxy-8-(2-ethyl-2-methylpentoxy)-2-methyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]ethyl]oxan-2-one?

The canonical SMILES for 4-[tert-butyl(dimethyl)silyl]oxy-6-[2-[6-[tert-butyl(dimethyl)silyl]oxy-8-(2-ethyl-2-methylpentoxy)-2-methyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]ethyl]oxan-2-one is CCCC(C)(CC)COC1CC(O[Si](C)(C)C(C)(C)C)C=C2C=CC(C)C(CCC3CC(O[Si](C)(C)C(C)(C)C)CC(=O)O3)C21.

What is the InChIKey of 4-[tert-butyl(dimethyl)silyl]oxy-6-[2-[6-[tert-butyl(dimethyl)silyl]oxy-8-(2-ethyl-2-methylpentoxy)-2-methyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]ethyl]oxan-2-one?

The InChIKey is KMEGETSPOBJTPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H70O5Si2/c1-15-21-38(10,16-2)26-40-33-24-30(42-44(11,12)36(4,5)6)22-28-18-17-27(3)32(35(28)33)20-19-29-23-31(25-34(39)41-29)43-45(13,14)37(7,8)9/h17-18,22,27,29-33,35H,15-16,19-21,23-26H2,1-14H3.

What are the key properties of 4-[tert-butyl(dimethyl)silyl]oxy-6-[2-[6-[tert-butyl(dimethyl)silyl]oxy-8-(2-ethyl-2-methylpentoxy)-2-methyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]ethyl]oxan-2-one?

4-[tert-butyl(dimethyl)silyl]oxy-6-[2-[6-[tert-butyl(dimethyl)silyl]oxy-8-(2-ethyl-2-methylpentoxy)-2-methyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]ethyl]oxan-2-one has a molecular weight of 663.15 g/mol, XLogP of 10.62, 13 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[tert-butyl(dimethyl)silyl]oxy-6-[2-[6-[tert-butyl(dimethyl)silyl]oxy-8-(2-ethyl-2-methylpentoxy)-2-methyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]ethyl]oxan-2-one is sourced from PubChem (CID 67812885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).