methyl 2-[3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-trimethylsilyloxycyclohexylidene]acetate

C24H50O5Si3 — CID 11409489

About methyl 2-[3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-trimethylsilyloxycyclohexylidene]acetate

methyl 2-[3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-trimethylsilyloxycyclohexylidene]acetate (PubChem CID 11409489) has the molecular formula C24H50O5Si3 and a molecular weight of 502.92 g/mol. Its IUPAC name is methyl 2-[3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-trimethylsilyloxycyclohexylidene]acetate.

Molecular Properties

• Compound Name: methyl 2-[3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-trimethylsilyloxycyclohexylidene]acetate
• PubChem CID: 11409489
• Molecular Formula: C24H50O5Si3
• Molecular Weight: 502.92 g/mol
• Exact Mass: 502.30
• IUPAC Name: methyl 2-[3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-trimethylsilyloxycyclohexylidene]acetate
• SMILES: COC(=O)C=C1CC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1
• InChI: InChI=1S/C24H50O5Si3/c1-23(2,3)31(11,12)27-19-15-18(17-21(25)26-7)16-20(22(19)29-30(8,9)10)28-32(13,14)24(4,5)6/h17,19-20,22H,15-16H2,1-14H3/b18-17-
• InChIKey: OGCZGQOUSBNQFP-ZCXUNETKSA-N
• XLogP: 6.88
• TPSA: 53.99 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	502.92
LogP ≤ 5	6.88
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-trimethylsilyloxycyclohexylidene]acetate?

The IUPAC name of methyl 2-[3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-trimethylsilyloxycyclohexylidene]acetate (CID 11409489) is methyl 2-[3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-trimethylsilyloxycyclohexylidene]acetate.

What is the SMILES notation for methyl 2-[3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-trimethylsilyloxycyclohexylidene]acetate?

The canonical SMILES for methyl 2-[3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-trimethylsilyloxycyclohexylidene]acetate is COC(=O)C=C1CC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1.

What is the InChIKey of methyl 2-[3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-trimethylsilyloxycyclohexylidene]acetate?

The InChIKey is OGCZGQOUSBNQFP-ZCXUNETKSA-N. The full InChI is InChI=1S/C24H50O5Si3/c1-23(2,3)31(11,12)27-19-15-18(17-21(25)26-7)16-20(22(19)29-30(8,9)10)28-32(13,14)24(4,5)6/h17,19-20,22H,15-16H2,1-14H3/b18-17-.

What are the key properties of methyl 2-[3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-trimethylsilyloxycyclohexylidene]acetate?

methyl 2-[3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-trimethylsilyloxycyclohexylidene]acetate has a molecular weight of 502.92 g/mol, XLogP of 6.88, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 2-[3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-trimethylsilyloxycyclohexylidene]acetate is sourced from PubChem (CID 11409489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).