[(2R,3R,4R,6R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-6-prop-2-ynoxyoxan-4-yl] acetate

C17H30O5Si — CID 100975997

IUPAC[(2R,3R,4R,6R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-6-prop-2-ynoxyoxan-4-yl] acetate
SMILESC#CCO[C@H]1C[C@@H](OC(C)=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)O1
InChIInChI=1S/C17H30O5Si/c1-9-10-19-15-11-14(21-13(3)18)16(12(2)20-15)22-23(7,8)17(4,5)6/h1,12,14-16H,10-11H2,2-8H3/t12-,14-,15-,16-/m1/s1
InChIKeyYEJQGNJQEBUDOC-DTZQCDIJSA-N
MW342.51 g/mol
LogP3.09
Rot. Bonds5

About [(2R,3R,4R,6R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-6-prop-2-ynoxyoxan-4-yl] acetate

[(2R,3R,4R,6R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-6-prop-2-ynoxyoxan-4-yl] acetate (PubChem CID 100975997) has the molecular formula C17H30O5Si and a molecular weight of 342.51 g/mol. Its IUPAC name is [(2R,3R,4R,6R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-6-prop-2-ynoxyoxan-4-yl] acetate.

Molecular Properties

Compound Name[(2R,3R,4R,6R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-6-prop-2-ynoxyoxan-4-yl] acetate
PubChem CID100975997
Molecular FormulaC17H30O5Si
Molecular Weight342.51 g/mol
Exact Mass342.19
IUPAC Name[(2R,3R,4R,6R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-6-prop-2-ynoxyoxan-4-yl] acetate
SMILESC#CCO[C@H]1C[C@@H](OC(C)=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)O1
InChIInChI=1S/C17H30O5Si/c1-9-10-19-15-11-14(21-13(3)18)16(12(2)20-15)22-23(7,8)17(4,5)6/h1,12,14-16H,10-11H2,2-8H3/t12-,14-,15-,16-/m1/s1
InChIKeyYEJQGNJQEBUDOC-DTZQCDIJSA-N
XLogP3.09
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.51
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[(2R,3S,4R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-3-fluoro-2-methyloxan-4-yl] acetate
CID 70170361
[(3R,6R)-5-acetyloxy-4-hydroxy-2-methyl-6-prop-2-ynoxyoxan-3-yl] acetate
CID 146170073
[(2S,3R,4S,5R,6R)-5-[tert-butyl(dimethyl)silyl]oxy-3-iodo-4-methoxy-6-methyloxan-2-yl] acetate
CID 24788005
[(2R,3S,4R,5R,6R)-5-acetamido-4-acetyloxy-2-[[(2R,3S,4R,5R,6S)-4-[(2S,3S,4R,5S,6S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-hydroxy-6-methyloxan-2-yl]oxy-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methyloxan-2-yl]oxymethyl]-6-prop-2-ynoxyoxan-3-yl] acetate
CID 72736911
[(2S,3S,4R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-2-methyl-4-[(2,2,2-trifluoroacetyl)amino]oxan-3-yl] acetate
CID 102013077
[(2S,3S,4S,6R)-3-acetyloxy-6-dodecoxy-2-methyloxan-4-yl] acetate
CID 102214811
[(3S,6S)-4,5-diacetyloxy-6-[(3S,6R)-4,5-diacetyloxy-2-methyl-6-prop-2-ynoxyoxan-3-yl]oxy-2-methyloxan-3-yl] acetate
CID 146170003
[(2S,3S,4S,6R)-3-acetyloxy-6-chloro-2-methyloxan-4-yl] acetate
CID 70538899
[(2S,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methyloxolan-2-yl]methanol
CID 45277017
[(2S,3S,4S,6S)-3-acetyloxy-6-chloro-2-methyloxan-4-yl] acetate
CID 13252618
[(1R,3S)-3-[tert-butyl(dimethyl)silyl]oxycyclopentyl] acetate
CID 54211622
[(1R,2R,3S,4S,5S,6R,7R,8R)-2,3,4,5-tetraacetyloxy-6,7-bis[[tert-butyl(dimethyl)silyl]oxy]-8-(hydroxymethyl)cyclooctyl] acetate
CID 25258188

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4R,6R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-6-prop-2-ynoxyoxan-4-yl] acetate?
The IUPAC name of [(2R,3R,4R,6R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-6-prop-2-ynoxyoxan-4-yl] acetate (CID 100975997) is [(2R,3R,4R,6R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-6-prop-2-ynoxyoxan-4-yl] acetate.
What is the SMILES notation for [(2R,3R,4R,6R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-6-prop-2-ynoxyoxan-4-yl] acetate?
The canonical SMILES for [(2R,3R,4R,6R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-6-prop-2-ynoxyoxan-4-yl] acetate is C#CCO[C@H]1C[C@@H](OC(C)=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)O1.
What is the InChIKey of [(2R,3R,4R,6R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-6-prop-2-ynoxyoxan-4-yl] acetate?
The InChIKey is YEJQGNJQEBUDOC-DTZQCDIJSA-N. The full InChI is InChI=1S/C17H30O5Si/c1-9-10-19-15-11-14(21-13(3)18)16(12(2)20-15)22-23(7,8)17(4,5)6/h1,12,14-16H,10-11H2,2-8H3/t12-,14-,15-,16-/m1/s1.
What are the key properties of [(2R,3R,4R,6R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-6-prop-2-ynoxyoxan-4-yl] acetate?
[(2R,3R,4R,6R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-6-prop-2-ynoxyoxan-4-yl] acetate has a molecular weight of 342.51 g/mol, XLogP of 3.09, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,4R,6R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-6-prop-2-ynoxyoxan-4-yl] acetate is sourced from PubChem (CID 100975997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).