tert-butyl 2-[(3R)-3-[(2R,3R,5R,6S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methyloxan-2-yl]oxybutyl]cyclopropane-1-carboxylate

C30H60O6Si2 — CID 155725545

About tert-butyl 2-[(3R)-3-[(2R,3R,5R,6S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methyloxan-2-yl]oxybutyl]cyclopropane-1-carboxylate

tert-butyl 2-[(3R)-3-[(2R,3R,5R,6S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methyloxan-2-yl]oxybutyl]cyclopropane-1-carboxylate (PubChem CID 155725545) has the molecular formula C30H60O6Si2 and a molecular weight of 572.98 g/mol. Its IUPAC name is tert-butyl 2-[(3R)-3-[(2R,3R,5R,6S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methyloxan-2-yl]oxybutyl]cyclopropane-1-carboxylate.

Molecular Properties

• Compound Name: tert-butyl 2-[(3R)-3-[(2R,3R,5R,6S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methyloxan-2-yl]oxybutyl]cyclopropane-1-carboxylate
• PubChem CID: 155725545
• Molecular Formula: C30H60O6Si2
• Molecular Weight: 572.98 g/mol
• Exact Mass: 572.39
• IUPAC Name: tert-butyl 2-[(3R)-3-[(2R,3R,5R,6S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methyloxan-2-yl]oxybutyl]cyclopropane-1-carboxylate
• SMILES: C[C@H](CCC1CC1C(=O)OC(C)(C)C)O[C@@H]1O[C@@H](C)[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]1O[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C30H60O6Si2/c1-20(16-17-22-18-23(22)26(31)34-28(3,4)5)32-27-25(36-38(14,15)30(9,10)11)19-24(21(2)33-27)35-37(12,13)29(6,7)8/h20-25,27H,16-19H2,1-15H3/t20-,21+,22?,23?,24-,25-,27-/m1/s1
• InChIKey: AIUHMKKRDPBROI-KGCQBZSUSA-N
• XLogP: 8.07
• TPSA: 63.22 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	572.98
LogP ≤ 5	8.07
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 tert-butyl 2-[(3R)-3-[(2R,3R,5R,6S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methyloxan-2-yl]oxybutyl]cyclopropane-1-carboxylate?

The IUPAC name of tert-butyl 2-[(3R)-3-[(2R,3R,5R,6S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methyloxan-2-yl]oxybutyl]cyclopropane-1-carboxylate (CID 155725545) is tert-butyl 2-[(3R)-3-[(2R,3R,5R,6S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methyloxan-2-yl]oxybutyl]cyclopropane-1-carboxylate.

What is the SMILES notation for tert-butyl 2-[(3R)-3-[(2R,3R,5R,6S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methyloxan-2-yl]oxybutyl]cyclopropane-1-carboxylate?

The canonical SMILES for tert-butyl 2-[(3R)-3-[(2R,3R,5R,6S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methyloxan-2-yl]oxybutyl]cyclopropane-1-carboxylate is C[C@H](CCC1CC1C(=O)OC(C)(C)C)O[C@@H]1O[C@@H](C)[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]1O[Si](C)(C)C(C)(C)C.

What is the InChIKey of tert-butyl 2-[(3R)-3-[(2R,3R,5R,6S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methyloxan-2-yl]oxybutyl]cyclopropane-1-carboxylate?

The InChIKey is AIUHMKKRDPBROI-KGCQBZSUSA-N. The full InChI is InChI=1S/C30H60O6Si2/c1-20(16-17-22-18-23(22)26(31)34-28(3,4)5)32-27-25(36-38(14,15)30(9,10)11)19-24(21(2)33-27)35-37(12,13)29(6,7)8/h20-25,27H,16-19H2,1-15H3/t20-,21+,22?,23?,24-,25-,27-/m1/s1.

What are the key properties of tert-butyl 2-[(3R)-3-[(2R,3R,5R,6S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methyloxan-2-yl]oxybutyl]cyclopropane-1-carboxylate?

tert-butyl 2-[(3R)-3-[(2R,3R,5R,6S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methyloxan-2-yl]oxybutyl]cyclopropane-1-carboxylate has a molecular weight of 572.98 g/mol, XLogP of 8.07, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 2-[(3R)-3-[(2R,3R,5R,6S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methyloxan-2-yl]oxybutyl]cyclopropane-1-carboxylate is sourced from PubChem (CID 155725545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).