[(3R,4S,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2-methyloxan-3-yl] propanoate

C22H46O6Si2 — CID 134867142

IUPAC[(3R,4S,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2-methyloxan-3-yl] propanoate
SMILESCCC(=O)O[C@@H]1C(C)O[C@H](OC)C(O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H46O6Si2/c1-14-16(23)26-17-15(2)25-20(24-9)19(28-30(12,13)22(6,7)8)18(17)27-29(10,11)21(3,4)5/h15,17-20H,14H2,1-13H3/t15?,17-,18+,19?,20+/m1/s1
InChIKeyFFOBVIYPHKWLIC-ADDNQGIHSA-N
MW462.78 g/mol
LogP5.48
Rot. Bonds7

About [(3R,4S,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2-methyloxan-3-yl] propanoate

[(3R,4S,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2-methyloxan-3-yl] propanoate (PubChem CID 134867142) has the molecular formula C22H46O6Si2 and a molecular weight of 462.78 g/mol. Its IUPAC name is [(3R,4S,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2-methyloxan-3-yl] propanoate.

Molecular Properties

Compound Name[(3R,4S,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2-methyloxan-3-yl] propanoate
PubChem CID134867142
Molecular FormulaC22H46O6Si2
Molecular Weight462.78 g/mol
Exact Mass462.28
IUPAC Name[(3R,4S,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2-methyloxan-3-yl] propanoate
SMILESCCC(=O)O[C@@H]1C(C)O[C@H](OC)C(O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H46O6Si2/c1-14-16(23)26-17-15(2)25-20(24-9)19(28-30(12,13)22(6,7)8)18(17)27-29(10,11)21(3,4)5/h15,17-20H,14H2,1-13H3/t15?,17-,18+,19?,20+/m1/s1
InChIKeyFFOBVIYPHKWLIC-ADDNQGIHSA-N
XLogP5.48
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.78
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

((2S,3R,4S,5R,6R)-2-methoxy-3,5-bis(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-4-yl)oxy-trimethylsilane
CID 11730569
Glyceryl-glycoside TMS ether
CID 91733362
[(1S,3R,4R,5R,6R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2,7-dioxabicyclo[4.1.0]heptan-3-yl]methoxy-tert-butyl-dimethylsilane
CID 11027555
[(1S,3R,4S,5R,6R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2,7-dioxabicyclo[4.1.0]heptan-3-yl]methoxy-tert-butyl-dimethylsilane
CID 134878305
[(2S,3R,4R,5S,6S)-4-acetyloxy-5-fluoro-2-methyl-6-(2-trimethylsilylethoxy)oxan-3-yl] acetate
CID 18665150
[(2R,3R,4S,5R)-5,6-diacetyloxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluorooxan-3-yl] acetate
CID 174043883
[(2R,3R,4S,5S)-4,6-diacetyloxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-fluorooxan-3-yl] acetate
CID 174043885
[(3S,4R,5R,6R)-2,3-diacetyloxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-fluorooxan-4-yl] acetate
CID 174043911
2-Propylpentanoic acid, 2,3,4,6-tetra(trimethylsilyl)-1-glucopyranoside
CID 523708
beta-D-Glucopyranoside, methyl 2,3,4,6-tetrakis-O-(trimethylsilyl)-
CID 16036840
beta-D-Galactopyranoside, methyl 2,3,4,6-tetrakis-O-(trimethylsilyl)-
CID 22214285
2-O-Glycerol-alpha-d-galactopyranoside, hexa-TMS
CID 91754126

Frequently Asked Questions

What is the IUPAC name of [(3R,4S,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2-methyloxan-3-yl] propanoate?
The IUPAC name of [(3R,4S,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2-methyloxan-3-yl] propanoate (CID 134867142) is [(3R,4S,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2-methyloxan-3-yl] propanoate.
What is the SMILES notation for [(3R,4S,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2-methyloxan-3-yl] propanoate?
The canonical SMILES for [(3R,4S,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2-methyloxan-3-yl] propanoate is CCC(=O)O[C@@H]1C(C)O[C@H](OC)C(O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(3R,4S,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2-methyloxan-3-yl] propanoate?
The InChIKey is FFOBVIYPHKWLIC-ADDNQGIHSA-N. The full InChI is InChI=1S/C22H46O6Si2/c1-14-16(23)26-17-15(2)25-20(24-9)19(28-30(12,13)22(6,7)8)18(17)27-29(10,11)21(3,4)5/h15,17-20H,14H2,1-13H3/t15?,17-,18+,19?,20+/m1/s1.
What are the key properties of [(3R,4S,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2-methyloxan-3-yl] propanoate?
[(3R,4S,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2-methyloxan-3-yl] propanoate has a molecular weight of 462.78 g/mol, XLogP of 5.48, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4S,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2-methyloxan-3-yl] propanoate is sourced from PubChem (CID 134867142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).