methyl (2R,3S,4S,6S,10S)-3,11-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,6,10-tetramethyl-7-oxoundecanoate

C28H58O5Si2 — CID 23253285

About methyl (2R,3S,4S,6S,10S)-3,11-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,6,10-tetramethyl-7-oxoundecanoate

methyl (2R,3S,4S,6S,10S)-3,11-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,6,10-tetramethyl-7-oxoundecanoate (PubChem CID 23253285) has the molecular formula C28H58O5Si2 and a molecular weight of 530.94 g/mol. Its IUPAC name is methyl (2R,3S,4S,6S,10S)-3,11-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,6,10-tetramethyl-7-oxoundecanoate.

Molecular Properties

• Compound Name: methyl (2R,3S,4S,6S,10S)-3,11-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,6,10-tetramethyl-7-oxoundecanoate
• PubChem CID: 23253285
• Molecular Formula: C28H58O5Si2
• Molecular Weight: 530.94 g/mol
• Exact Mass: 530.38
• IUPAC Name: methyl (2R,3S,4S,6S,10S)-3,11-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,6,10-tetramethyl-7-oxoundecanoate
• SMILES: COC(=O)[C@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)C[C@H](C)C(=O)CC[C@H](C)CO[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C28H58O5Si2/c1-20(19-32-34(12,13)27(5,6)7)16-17-24(29)21(2)18-22(3)25(23(4)26(30)31-11)33-35(14,15)28(8,9)10/h20-23,25H,16-19H2,1-15H3/t20-,21-,22-,23+,25-/m0/s1
• InChIKey: DDBYNCQPEBTTSJ-WHGMEAMLSA-N
• XLogP: 7.86
• TPSA: 61.83 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 14
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	530.94
LogP ≤ 5	7.86
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 methyl (2R,3S,4S,6S,10S)-3,11-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,6,10-tetramethyl-7-oxoundecanoate?

The IUPAC name of methyl (2R,3S,4S,6S,10S)-3,11-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,6,10-tetramethyl-7-oxoundecanoate (CID 23253285) is methyl (2R,3S,4S,6S,10S)-3,11-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,6,10-tetramethyl-7-oxoundecanoate.

What is the SMILES notation for methyl (2R,3S,4S,6S,10S)-3,11-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,6,10-tetramethyl-7-oxoundecanoate?

The canonical SMILES for methyl (2R,3S,4S,6S,10S)-3,11-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,6,10-tetramethyl-7-oxoundecanoate is COC(=O)[C@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)C[C@H](C)C(=O)CC[C@H](C)CO[Si](C)(C)C(C)(C)C.

What is the InChIKey of methyl (2R,3S,4S,6S,10S)-3,11-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,6,10-tetramethyl-7-oxoundecanoate?

The InChIKey is DDBYNCQPEBTTSJ-WHGMEAMLSA-N. The full InChI is InChI=1S/C28H58O5Si2/c1-20(19-32-34(12,13)27(5,6)7)16-17-24(29)21(2)18-22(3)25(23(4)26(30)31-11)33-35(14,15)28(8,9)10/h20-23,25H,16-19H2,1-15H3/t20-,21-,22-,23+,25-/m0/s1.

What are the key properties of methyl (2R,3S,4S,6S,10S)-3,11-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,6,10-tetramethyl-7-oxoundecanoate?

methyl (2R,3S,4S,6S,10S)-3,11-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,6,10-tetramethyl-7-oxoundecanoate has a molecular weight of 530.94 g/mol, XLogP of 7.86, 14 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for methyl (2R,3S,4S,6S,10S)-3,11-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,6,10-tetramethyl-7-oxoundecanoate is sourced from PubChem (CID 23253285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).