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

C28H56O6Si2 — CID 155725484

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

ethyl 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 155725484) has the molecular formula C28H56O6Si2 and a molecular weight of 544.92 g/mol. Its IUPAC name is ethyl 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: ethyl 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: 155725484
• Molecular Formula: C28H56O6Si2
• Molecular Weight: 544.92 g/mol
• Exact Mass: 544.36
• IUPAC Name: ethyl 2-[(3R)-3-[(2R,3R,5R,6S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methyloxan-2-yl]oxybutyl]cyclopropane-1-carboxylate
• SMILES: CCOC(=O)C1CC1CC[C@@H](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/C28H56O6Si2/c1-14-30-25(29)22-17-21(22)16-15-19(2)31-26-24(34-36(12,13)28(7,8)9)18-23(20(3)32-26)33-35(10,11)27(4,5)6/h19-24,26H,14-18H2,1-13H3/t19-,20+,21?,22?,23-,24-,26-/m1/s1
• InChIKey: IMAMHYRYLCWDLL-PSZRDXRYSA-N
• XLogP: 7.29
• TPSA: 63.22 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	544.92
LogP ≤ 5	7.29
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 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 ethyl 2-[(3R)-3-[(2R,3R,5R,6S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methyloxan-2-yl]oxybutyl]cyclopropane-1-carboxylate (CID 155725484) is ethyl 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 ethyl 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 ethyl 2-[(3R)-3-[(2R,3R,5R,6S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methyloxan-2-yl]oxybutyl]cyclopropane-1-carboxylate is CCOC(=O)C1CC1CC[C@@H](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 ethyl 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 IMAMHYRYLCWDLL-PSZRDXRYSA-N. The full InChI is InChI=1S/C28H56O6Si2/c1-14-30-25(29)22-17-21(22)16-15-19(2)31-26-24(34-36(12,13)28(7,8)9)18-23(20(3)32-26)33-35(10,11)27(4,5)6/h19-24,26H,14-18H2,1-13H3/t19-,20+,21?,22?,23-,24-,26-/m1/s1.

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

ethyl 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 544.92 g/mol, XLogP of 7.29, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 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 155725484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).