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

C22H46O6Si2 — CID 11465404

IUPAC[(2R,3R,4S,5R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2-methyloxan-3-yl] propanoate
SMILESCCC(=O)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](OC)O[C@@H]1C
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-PKOFMYQESA-N
MW462.78 g/mol
LogP5.48
Rot. Bonds7

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

[(2R,3R,4S,5R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2-methyloxan-3-yl] propanoate (PubChem CID 11465404) has the molecular formula C22H46O6Si2 and a molecular weight of 462.78 g/mol. Its IUPAC name is [(2R,3R,4S,5R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2-methyloxan-3-yl] propanoate.

Molecular Properties

Compound Name[(2R,3R,4S,5R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2-methyloxan-3-yl] propanoate
PubChem CID11465404
Molecular FormulaC22H46O6Si2
Molecular Weight462.78 g/mol
Exact Mass462.28
IUPAC Name[(2R,3R,4S,5R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2-methyloxan-3-yl] propanoate
SMILESCCC(=O)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](OC)O[C@@H]1C
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-PKOFMYQESA-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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Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4S,5R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2-methyloxan-3-yl] propanoate?
The IUPAC name of [(2R,3R,4S,5R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2-methyloxan-3-yl] propanoate (CID 11465404) is [(2R,3R,4S,5R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2-methyloxan-3-yl] propanoate.
What is the SMILES notation for [(2R,3R,4S,5R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2-methyloxan-3-yl] propanoate?
The canonical SMILES for [(2R,3R,4S,5R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2-methyloxan-3-yl] propanoate is CCC(=O)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](OC)O[C@@H]1C.
What is the InChIKey of [(2R,3R,4S,5R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2-methyloxan-3-yl] propanoate?
The InChIKey is FFOBVIYPHKWLIC-PKOFMYQESA-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 [(2R,3R,4S,5R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2-methyloxan-3-yl] propanoate?
[(2R,3R,4S,5R,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 [(2R,3R,4S,5R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2-methyloxan-3-yl] propanoate is sourced from PubChem (CID 11465404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).