[tert-butyl(dimethyl)silyl] (2R,3R,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-5-methyloxane-2-carboxylate

C20H42O5Si2 — CID 57133642

IUPAC[tert-butyl(dimethyl)silyl] (2R,3R,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-5-methyloxane-2-carboxylate
SMILESCO[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C(=O)O[Si](C)(C)C(C)(C)C)OC[C@@H]1C
InChIInChI=1S/C20H42O5Si2/c1-14-13-23-17(18(21)25-27(11,12)20(5,6)7)16(15(14)22-8)24-26(9,10)19(2,3)4/h14-17H,13H2,1-12H3/t14-,15-,16+,17+/m0/s1
InChIKeyDLVAIQFMMWOPCP-MWDXBVQZSA-N
MW418.72 g/mol
LogP4.98
Rot. Bonds5

About [tert-butyl(dimethyl)silyl] (2R,3R,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-5-methyloxane-2-carboxylate

[tert-butyl(dimethyl)silyl] (2R,3R,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-5-methyloxane-2-carboxylate (PubChem CID 57133642) has the molecular formula C20H42O5Si2 and a molecular weight of 418.72 g/mol. Its IUPAC name is [tert-butyl(dimethyl)silyl] (2R,3R,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-5-methyloxane-2-carboxylate.

Molecular Properties

Compound Name[tert-butyl(dimethyl)silyl] (2R,3R,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-5-methyloxane-2-carboxylate
PubChem CID57133642
Molecular FormulaC20H42O5Si2
Molecular Weight418.72 g/mol
Exact Mass418.26
IUPAC Name[tert-butyl(dimethyl)silyl] (2R,3R,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-5-methyloxane-2-carboxylate
SMILESCO[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C(=O)O[Si](C)(C)C(C)(C)C)OC[C@@H]1C
InChIInChI=1S/C20H42O5Si2/c1-14-13-23-17(18(21)25-27(11,12)20(5,6)7)16(15(14)22-8)24-26(9,10)19(2,3)4/h14-17H,13H2,1-12H3/t14-,15-,16+,17+/m0/s1
InChIKeyDLVAIQFMMWOPCP-MWDXBVQZSA-N
XLogP4.98
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.72
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2R,3R,6S)-6-butan-2-yl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methoxyoxan-4-one
CID 23253064
(4R,5R,6R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methyloxan-2-one
CID 139247737
(3R,4S,5R,6R)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-2-one
CID 11250682
[(2S,3R,4S)-4-acetyloxy-3-[tert-butyl(dimethyl)silyl]oxy-5-methyl-1-oxohexan-2-yl] acetate
CID 101214067
(2R,3R,4S,5S)-3-(tert-butyldimethylsilyloxy)-4-methoxy-5-methyltetrahydro-2H-pyran-2-carbaldehyde
CID 11833079
3-[[(1,1-Dimethylethyl)dimethylsilyl]oxy]tetrahydro-4-methoxy-5-methyl-2H-pyran-2-carboxaldehyde
CID 19699692
(2R,3R,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-5-methyloxane-2-carboxylic acid
CID 53678910
(2S,3R,4S,5S)-4-methoxy-5-methyl-3-(tert-butyldimethylsilyloxy)tetrahydro-2H-pyran-2-carbaldehyde
CID 57231418
(3R,4S,5S,6R)-5-methyl-6-trimethylsilyl-3,4-bis(trimethylsilyloxy)oxan-2-one
CID 58343630
(3R,4S,5R,6S)-5-methyl-3,4-bis(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-one
CID 59715764
(2R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-5-methyloxane-2-carboxylic acid
CID 67885017
3-Methyl-4,5-bis(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-one
CID 67961657

Frequently Asked Questions

What is the IUPAC name of [tert-butyl(dimethyl)silyl] (2R,3R,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-5-methyloxane-2-carboxylate?
The IUPAC name of [tert-butyl(dimethyl)silyl] (2R,3R,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-5-methyloxane-2-carboxylate (CID 57133642) is [tert-butyl(dimethyl)silyl] (2R,3R,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-5-methyloxane-2-carboxylate.
What is the SMILES notation for [tert-butyl(dimethyl)silyl] (2R,3R,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-5-methyloxane-2-carboxylate?
The canonical SMILES for [tert-butyl(dimethyl)silyl] (2R,3R,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-5-methyloxane-2-carboxylate is CO[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C(=O)O[Si](C)(C)C(C)(C)C)OC[C@@H]1C.
What is the InChIKey of [tert-butyl(dimethyl)silyl] (2R,3R,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-5-methyloxane-2-carboxylate?
The InChIKey is DLVAIQFMMWOPCP-MWDXBVQZSA-N. The full InChI is InChI=1S/C20H42O5Si2/c1-14-13-23-17(18(21)25-27(11,12)20(5,6)7)16(15(14)22-8)24-26(9,10)19(2,3)4/h14-17H,13H2,1-12H3/t14-,15-,16+,17+/m0/s1.
What are the key properties of [tert-butyl(dimethyl)silyl] (2R,3R,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-5-methyloxane-2-carboxylate?
[tert-butyl(dimethyl)silyl] (2R,3R,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-5-methyloxane-2-carboxylate has a molecular weight of 418.72 g/mol, XLogP of 4.98, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [tert-butyl(dimethyl)silyl] (2R,3R,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-5-methyloxane-2-carboxylate is sourced from PubChem (CID 57133642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).