2-[tert-butyl(dimethyl)silyl]oxy-1-[(2R,3S,6R)-3-methyl-6-[(2S)-1-(2-trimethylsilylethoxymethoxy)propan-2-yl]oxan-2-yl]ethanone

C23H48O5Si2 — CID 10095810

IUPAC2-[tert-butyl(dimethyl)silyl]oxy-1-[(2R,3S,6R)-3-methyl-6-[(2S)-1-(2-trimethylsilylethoxymethoxy)propan-2-yl]oxan-2-yl]ethanone
SMILESC[C@@H](COCOCC[Si](C)(C)C)[C@H]1CC[C@H](C)[C@H](C(=O)CO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C23H48O5Si2/c1-18-11-12-21(19(2)15-26-17-25-13-14-29(6,7)8)28-22(18)20(24)16-27-30(9,10)23(3,4)5/h18-19,21-22H,11-17H2,1-10H3/t18-,19-,21+,22+/m0/s1
InChIKeyFBYNTNLMYQYASK-SEIRJHJZSA-N
MW460.80 g/mol
LogP5.73
Rot. Bonds12

About 2-[tert-butyl(dimethyl)silyl]oxy-1-[(2R,3S,6R)-3-methyl-6-[(2S)-1-(2-trimethylsilylethoxymethoxy)propan-2-yl]oxan-2-yl]ethanone

2-[tert-butyl(dimethyl)silyl]oxy-1-[(2R,3S,6R)-3-methyl-6-[(2S)-1-(2-trimethylsilylethoxymethoxy)propan-2-yl]oxan-2-yl]ethanone (PubChem CID 10095810) has the molecular formula C23H48O5Si2 and a molecular weight of 460.80 g/mol. Its IUPAC name is 2-[tert-butyl(dimethyl)silyl]oxy-1-[(2R,3S,6R)-3-methyl-6-[(2S)-1-(2-trimethylsilylethoxymethoxy)propan-2-yl]oxan-2-yl]ethanone.

Molecular Properties

Compound Name2-[tert-butyl(dimethyl)silyl]oxy-1-[(2R,3S,6R)-3-methyl-6-[(2S)-1-(2-trimethylsilylethoxymethoxy)propan-2-yl]oxan-2-yl]ethanone
PubChem CID10095810
Molecular FormulaC23H48O5Si2
Molecular Weight460.80 g/mol
Exact Mass460.30
IUPAC Name2-[tert-butyl(dimethyl)silyl]oxy-1-[(2R,3S,6R)-3-methyl-6-[(2S)-1-(2-trimethylsilylethoxymethoxy)propan-2-yl]oxan-2-yl]ethanone
SMILESC[C@@H](COCOCC[Si](C)(C)C)[C@H]1CC[C@H](C)[C@H](C(=O)CO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C23H48O5Si2/c1-18-11-12-21(19(2)15-26-17-25-13-14-29(6,7)8)28-22(18)20(24)16-27-30(9,10)23(3,4)5/h18-19,21-22H,11-17H2,1-10H3/t18-,19-,21+,22+/m0/s1
InChIKeyFBYNTNLMYQYASK-SEIRJHJZSA-N
XLogP5.73
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.80
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(4R,6R)-4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-2,2,4,6-tetramethyl-1,3-dioxan-5-one
CID 21609042
1-(1,1,2-Triethoxy-3-ethylsilinan-2-yl)decan-1-one
CID 174971110
1-[(2R,3S,6R)-3-methyl-6-[(2S)-1-(2-trimethylsilylethoxymethoxy)propan-2-yl]oxan-2-yl]propan-1-one
CID 10315510
(2R,3S,6R)-3-methyl-6-[(2S)-1-(2-trimethylsilylethoxymethoxy)propan-2-yl]oxane-2-carbaldehyde
CID 10471048
(3R)-7-[(4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxan-4-yl]-3-methylheptanal
CID 10475284
(2S,5R,6R,7R,8R)-10-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-6,8-bis(methoxymethoxy)-5,7-dimethyldecanal
CID 10671839
1-[(2R,3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3,6,6-trimethyloxan-2-yl]ethanone
CID 10891948
1-[(2R,3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3,6,6-trimethyloxan-2-yl]ethanone
CID 10924589
1-[(2S,3R,4R,5S,6S,8R,9R,10R)-4,10-bis[[tert-butyl(dimethyl)silyl]oxy]-3,5,9-trimethyl-8-propan-2-yl-1,7-dioxaspiro[5.5]undecan-2-yl]ethanone
CID 11017019
(4S,6R,9R)-4-[tert-butyl(dimethyl)silyl]oxy-9-ethyl-1,7-dioxaspiro[5.5]undecan-3-one
CID 11727200
1-[(4R,5S,6S)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2,5-trimethyl-1,3-dioxan-4-yl]ethanone
CID 11782491

Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl(dimethyl)silyl]oxy-1-[(2R,3S,6R)-3-methyl-6-[(2S)-1-(2-trimethylsilylethoxymethoxy)propan-2-yl]oxan-2-yl]ethanone?
The IUPAC name of 2-[tert-butyl(dimethyl)silyl]oxy-1-[(2R,3S,6R)-3-methyl-6-[(2S)-1-(2-trimethylsilylethoxymethoxy)propan-2-yl]oxan-2-yl]ethanone (CID 10095810) is 2-[tert-butyl(dimethyl)silyl]oxy-1-[(2R,3S,6R)-3-methyl-6-[(2S)-1-(2-trimethylsilylethoxymethoxy)propan-2-yl]oxan-2-yl]ethanone.
What is the SMILES notation for 2-[tert-butyl(dimethyl)silyl]oxy-1-[(2R,3S,6R)-3-methyl-6-[(2S)-1-(2-trimethylsilylethoxymethoxy)propan-2-yl]oxan-2-yl]ethanone?
The canonical SMILES for 2-[tert-butyl(dimethyl)silyl]oxy-1-[(2R,3S,6R)-3-methyl-6-[(2S)-1-(2-trimethylsilylethoxymethoxy)propan-2-yl]oxan-2-yl]ethanone is C[C@@H](COCOCC[Si](C)(C)C)[C@H]1CC[C@H](C)[C@H](C(=O)CO[Si](C)(C)C(C)(C)C)O1.
What is the InChIKey of 2-[tert-butyl(dimethyl)silyl]oxy-1-[(2R,3S,6R)-3-methyl-6-[(2S)-1-(2-trimethylsilylethoxymethoxy)propan-2-yl]oxan-2-yl]ethanone?
The InChIKey is FBYNTNLMYQYASK-SEIRJHJZSA-N. The full InChI is InChI=1S/C23H48O5Si2/c1-18-11-12-21(19(2)15-26-17-25-13-14-29(6,7)8)28-22(18)20(24)16-27-30(9,10)23(3,4)5/h18-19,21-22H,11-17H2,1-10H3/t18-,19-,21+,22+/m0/s1.
What are the key properties of 2-[tert-butyl(dimethyl)silyl]oxy-1-[(2R,3S,6R)-3-methyl-6-[(2S)-1-(2-trimethylsilylethoxymethoxy)propan-2-yl]oxan-2-yl]ethanone?
2-[tert-butyl(dimethyl)silyl]oxy-1-[(2R,3S,6R)-3-methyl-6-[(2S)-1-(2-trimethylsilylethoxymethoxy)propan-2-yl]oxan-2-yl]ethanone has a molecular weight of 460.80 g/mol, XLogP of 5.73, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl(dimethyl)silyl]oxy-1-[(2R,3S,6R)-3-methyl-6-[(2S)-1-(2-trimethylsilylethoxymethoxy)propan-2-yl]oxan-2-yl]ethanone is sourced from PubChem (CID 10095810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).