[(5R)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]thiolan-2-yl] acetate

C20H42O4SSi2 — CID 10812763

IUPAC[(5R)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]thiolan-2-yl] acetate
SMILESCC(=O)OC1CC[C@H]([C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)S1
InChIInChI=1S/C20H42O4SSi2/c1-15(21)23-18-13-12-17(25-18)16(24-27(10,11)20(5,6)7)14-22-26(8,9)19(2,3)4/h16-18H,12-14H2,1-11H3/t16-,17-,18?/m1/s1
InChIKeyRQNVDKFFDNLJHQ-OWZOALSMSA-N
MW434.79 g/mol
LogP6.18
Rot. Bonds7

About [(5R)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]thiolan-2-yl] acetate

[(5R)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]thiolan-2-yl] acetate (PubChem CID 10812763) has the molecular formula C20H42O4SSi2 and a molecular weight of 434.79 g/mol. Its IUPAC name is [(5R)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]thiolan-2-yl] acetate.

Molecular Properties

Compound Name[(5R)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]thiolan-2-yl] acetate
PubChem CID10812763
Molecular FormulaC20H42O4SSi2
Molecular Weight434.79 g/mol
Exact Mass434.23
IUPAC Name[(5R)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]thiolan-2-yl] acetate
SMILESCC(=O)OC1CC[C@H]([C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)S1
InChIInChI=1S/C20H42O4SSi2/c1-15(21)23-18-13-12-17(25-18)16(24-27(10,11)20(5,6)7)14-22-26(8,9)19(2,3)4/h16-18H,12-14H2,1-11H3/t16-,17-,18?/m1/s1
InChIKeyRQNVDKFFDNLJHQ-OWZOALSMSA-N
XLogP6.18
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.79
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 [(5R)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]thiolan-2-yl] acetate?
The IUPAC name of [(5R)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]thiolan-2-yl] acetate (CID 10812763) is [(5R)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]thiolan-2-yl] acetate.
What is the SMILES notation for [(5R)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]thiolan-2-yl] acetate?
The canonical SMILES for [(5R)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]thiolan-2-yl] acetate is CC(=O)OC1CC[C@H]([C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)S1.
What is the InChIKey of [(5R)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]thiolan-2-yl] acetate?
The InChIKey is RQNVDKFFDNLJHQ-OWZOALSMSA-N. The full InChI is InChI=1S/C20H42O4SSi2/c1-15(21)23-18-13-12-17(25-18)16(24-27(10,11)20(5,6)7)14-22-26(8,9)19(2,3)4/h16-18H,12-14H2,1-11H3/t16-,17-,18?/m1/s1.
What are the key properties of [(5R)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]thiolan-2-yl] acetate?
[(5R)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]thiolan-2-yl] acetate has a molecular weight of 434.79 g/mol, XLogP of 6.18, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(5R)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]thiolan-2-yl] acetate is sourced from PubChem (CID 10812763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).