(5R)-5-[(1S,2R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-3-hydroxypropyl]oxolan-2-one

C19H40O5Si2 — CID 11795546

IUPAC(5R)-5-[(1S,2R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-3-hydroxypropyl]oxolan-2-one
SMILESCC(C)(C)[Si](C)(C)O[C@@H]([C@H]1CCC(=O)O1)[C@@H](CO)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H40O5Si2/c1-18(2,3)25(7,8)23-15(13-20)17(14-11-12-16(21)22-14)24-26(9,10)19(4,5)6/h14-15,17,20H,11-13H2,1-10H3/t14-,15-,17+/m1/s1
InChIKeyLUQMZMCPCXMFFE-INMHGKMJSA-N
MW404.70 g/mol
LogP4.47
Rot. Bonds7

About (5R)-5-[(1S,2R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-3-hydroxypropyl]oxolan-2-one

(5R)-5-[(1S,2R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-3-hydroxypropyl]oxolan-2-one (PubChem CID 11795546) has the molecular formula C19H40O5Si2 and a molecular weight of 404.70 g/mol. Its IUPAC name is (5R)-5-[(1S,2R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-3-hydroxypropyl]oxolan-2-one.

Molecular Properties

Compound Name(5R)-5-[(1S,2R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-3-hydroxypropyl]oxolan-2-one
PubChem CID11795546
Molecular FormulaC19H40O5Si2
Molecular Weight404.70 g/mol
Exact Mass404.24
IUPAC Name(5R)-5-[(1S,2R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-3-hydroxypropyl]oxolan-2-one
SMILESCC(C)(C)[Si](C)(C)O[C@@H]([C@H]1CCC(=O)O1)[C@@H](CO)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H40O5Si2/c1-18(2,3)25(7,8)23-15(13-20)17(14-11-12-16(21)22-14)24-26(9,10)19(4,5)6/h14-15,17,20H,11-13H2,1-10H3/t14-,15-,17+/m1/s1
InChIKeyLUQMZMCPCXMFFE-INMHGKMJSA-N
XLogP4.47
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.70
LogP ≤ 54.47
H-Bond Donors ≤ 51
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-[(1S,2R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-3-hydroxypropyl]oxolan-2-one?
The IUPAC name of (5R)-5-[(1S,2R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-3-hydroxypropyl]oxolan-2-one (CID 11795546) is (5R)-5-[(1S,2R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-3-hydroxypropyl]oxolan-2-one.
What is the SMILES notation for (5R)-5-[(1S,2R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-3-hydroxypropyl]oxolan-2-one?
The canonical SMILES for (5R)-5-[(1S,2R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-3-hydroxypropyl]oxolan-2-one is CC(C)(C)[Si](C)(C)O[C@@H]([C@H]1CCC(=O)O1)[C@@H](CO)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (5R)-5-[(1S,2R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-3-hydroxypropyl]oxolan-2-one?
The InChIKey is LUQMZMCPCXMFFE-INMHGKMJSA-N. The full InChI is InChI=1S/C19H40O5Si2/c1-18(2,3)25(7,8)23-15(13-20)17(14-11-12-16(21)22-14)24-26(9,10)19(4,5)6/h14-15,17,20H,11-13H2,1-10H3/t14-,15-,17+/m1/s1.
What are the key properties of (5R)-5-[(1S,2R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-3-hydroxypropyl]oxolan-2-one?
(5R)-5-[(1S,2R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-3-hydroxypropyl]oxolan-2-one has a molecular weight of 404.70 g/mol, XLogP of 4.47, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[(1S,2R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-3-hydroxypropyl]oxolan-2-one is sourced from PubChem (CID 11795546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).