methyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(2R,3S,4R,5S)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]oxolan-2-yl]acetate

C31H68O7Si4 — CID 57338126

IUPACmethyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(2R,3S,4R,5S)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]oxolan-2-yl]acetate
SMILESCOC(=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C31H68O7Si4/c1-28(2,3)39(14,15)35-23-22(24(26(32)33-13)36-40(16,17)29(4,5)6)34-27(38-42(20,21)31(10,11)12)25(23)37-41(18,19)30(7,8)9/h22-25,27H,1-21H3/t22-,23+,24+,25-,27+/m1/s1
InChIKeyNTHNPYKQHNUUQD-VJIOPBFVSA-N
MW665.22 g/mol
LogP9.08
Rot. Bonds10

About methyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(2R,3S,4R,5S)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]oxolan-2-yl]acetate

methyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(2R,3S,4R,5S)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]oxolan-2-yl]acetate (PubChem CID 57338126) has the molecular formula C31H68O7Si4 and a molecular weight of 665.22 g/mol. Its IUPAC name is methyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(2R,3S,4R,5S)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]oxolan-2-yl]acetate.

Molecular Properties

Compound Namemethyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(2R,3S,4R,5S)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]oxolan-2-yl]acetate
PubChem CID57338126
Molecular FormulaC31H68O7Si4
Molecular Weight665.22 g/mol
Exact Mass664.40
IUPAC Namemethyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(2R,3S,4R,5S)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]oxolan-2-yl]acetate
SMILESCOC(=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C31H68O7Si4/c1-28(2,3)39(14,15)35-23-22(24(26(32)33-13)36-40(16,17)29(4,5)6)34-27(38-42(20,21)31(10,11)12)25(23)37-41(18,19)30(7,8)9/h22-25,27H,1-21H3/t22-,23+,24+,25-,27+/m1/s1
InChIKeyNTHNPYKQHNUUQD-VJIOPBFVSA-N
XLogP9.08
TPSA72.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500665.22
LogP ≤ 59.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze methyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(2R,3S,4R,5S)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]oxolan-2-yl]acetate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(2R,3S,4R,5S)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]oxolan-2-yl]acetate?
The IUPAC name of methyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(2R,3S,4R,5S)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]oxolan-2-yl]acetate (CID 57338126) is methyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(2R,3S,4R,5S)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]oxolan-2-yl]acetate.
What is the SMILES notation for methyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(2R,3S,4R,5S)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]oxolan-2-yl]acetate?
The canonical SMILES for methyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(2R,3S,4R,5S)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]oxolan-2-yl]acetate is COC(=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(2R,3S,4R,5S)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]oxolan-2-yl]acetate?
The InChIKey is NTHNPYKQHNUUQD-VJIOPBFVSA-N. The full InChI is InChI=1S/C31H68O7Si4/c1-28(2,3)39(14,15)35-23-22(24(26(32)33-13)36-40(16,17)29(4,5)6)34-27(38-42(20,21)31(10,11)12)25(23)37-41(18,19)30(7,8)9/h22-25,27H,1-21H3/t22-,23+,24+,25-,27+/m1/s1.
What are the key properties of methyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(2R,3S,4R,5S)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]oxolan-2-yl]acetate?
methyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(2R,3S,4R,5S)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]oxolan-2-yl]acetate has a molecular weight of 665.22 g/mol, XLogP of 9.08, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(2R,3S,4R,5S)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]oxolan-2-yl]acetate is sourced from PubChem (CID 57338126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).