[(5R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-(2-methoxyethoxymethoxy)oxan-2-yl] acetate

C19H38O7Si — CID 46894693

IUPAC[(5R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-(2-methoxyethoxymethoxy)oxan-2-yl] acetate
SMILESCOCCOCO[C@@H]1CCC(OC(C)=O)O[C@@H]1CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H38O7Si/c1-15(20)25-18-9-8-16(23-14-22-13-12-21-5)17(26-18)10-11-24-27(6,7)19(2,3)4/h16-18H,8-14H2,1-7H3/t16-,17-,18?/m1/s1
InChIKeyOKIXYKUJYIHEJD-OWZOALSMSA-N
MW406.59 g/mol
LogP3.47
Rot. Bonds11

About [(5R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-(2-methoxyethoxymethoxy)oxan-2-yl] acetate

[(5R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-(2-methoxyethoxymethoxy)oxan-2-yl] acetate (PubChem CID 46894693) has the molecular formula C19H38O7Si and a molecular weight of 406.59 g/mol. Its IUPAC name is [(5R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-(2-methoxyethoxymethoxy)oxan-2-yl] acetate.

Molecular Properties

Compound Name[(5R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-(2-methoxyethoxymethoxy)oxan-2-yl] acetate
PubChem CID46894693
Molecular FormulaC19H38O7Si
Molecular Weight406.59 g/mol
Exact Mass406.24
IUPAC Name[(5R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-(2-methoxyethoxymethoxy)oxan-2-yl] acetate
SMILESCOCCOCO[C@@H]1CCC(OC(C)=O)O[C@@H]1CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H38O7Si/c1-15(20)25-18-9-8-16(23-14-22-13-12-21-5)17(26-18)10-11-24-27(6,7)19(2,3)4/h16-18H,8-14H2,1-7H3/t16-,17-,18?/m1/s1
InChIKeyOKIXYKUJYIHEJD-OWZOALSMSA-N
XLogP3.47
TPSA72.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.59
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

[(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
Nrjiiukuaqbwbu-uuajxviysa-
CID 11281574
[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-trimethylsilyloxyoxan-2-yl]methyl acetate
CID 12897497
[(2R,3R,4S,5R)-4,5-diacetyloxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-hydroxyoxan-3-yl] acetate
CID 10862718
[(2R,3R,4S,5R,6R)-5-acetyloxy-6-[(3R)-3-acetyloxypent-4-ynoxy]-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-3-yl] acetate
CID 11262053
[(3S,6S)-3-methyl-6-[(2R)-1-tri(propan-2-yl)silyloxypropan-2-yl]oxan-2-yl] acetate
CID 11773168
[(3aR,5R,6R,7S,7aR)-7-acetyloxy-2,2-dimethyl-5-[tri(propan-2-yl)silyloxymethyl]-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran-6-yl] acetate
CID 11826665
[(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-[dimethyl(octadecyl)silyl]oxyoxan-2-yl]methyl acetate
CID 46175324
6-O-tert-Butyldimethylsilyl-2,3,4-tri-O-acetyl-alpha-D-glucopyranosyl-(1A(R)1)-2,3,4,6-tetra-O-acetyl-alpha-D-glucopyranoside
CID 49873674

Frequently Asked Questions

What is the IUPAC name of [(5R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-(2-methoxyethoxymethoxy)oxan-2-yl] acetate?
The IUPAC name of [(5R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-(2-methoxyethoxymethoxy)oxan-2-yl] acetate (CID 46894693) is [(5R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-(2-methoxyethoxymethoxy)oxan-2-yl] acetate.
What is the SMILES notation for [(5R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-(2-methoxyethoxymethoxy)oxan-2-yl] acetate?
The canonical SMILES for [(5R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-(2-methoxyethoxymethoxy)oxan-2-yl] acetate is COCCOCO[C@@H]1CCC(OC(C)=O)O[C@@H]1CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(5R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-(2-methoxyethoxymethoxy)oxan-2-yl] acetate?
The InChIKey is OKIXYKUJYIHEJD-OWZOALSMSA-N. The full InChI is InChI=1S/C19H38O7Si/c1-15(20)25-18-9-8-16(23-14-22-13-12-21-5)17(26-18)10-11-24-27(6,7)19(2,3)4/h16-18H,8-14H2,1-7H3/t16-,17-,18?/m1/s1.
What are the key properties of [(5R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-(2-methoxyethoxymethoxy)oxan-2-yl] acetate?
[(5R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-(2-methoxyethoxymethoxy)oxan-2-yl] acetate has a molecular weight of 406.59 g/mol, XLogP of 3.47, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(5R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-(2-methoxyethoxymethoxy)oxan-2-yl] acetate is sourced from PubChem (CID 46894693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).