(5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2-hydroxyethyl]oxolan-2-one

C12H24O4Si — CID 134840108

IUPAC(5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2-hydroxyethyl]oxolan-2-one
SMILESCC(C)(C)[Si](C)(C)O[C@H](CO)[C@H]1CCC(=O)O1
InChIInChI=1S/C12H24O4Si/c1-12(2,3)17(4,5)16-10(8-13)9-6-7-11(14)15-9/h9-10,13H,6-8H2,1-5H3/t9-,10-/m1/s1
InChIKeyDNXSKLAIYLTVRZ-NXEZZACHSA-N
MW260.41 g/mol
LogP2.07
Rot. Bonds4

About (5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2-hydroxyethyl]oxolan-2-one

(5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2-hydroxyethyl]oxolan-2-one (PubChem CID 134840108) has the molecular formula C12H24O4Si and a molecular weight of 260.41 g/mol. Its IUPAC name is (5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2-hydroxyethyl]oxolan-2-one.

Molecular Properties

Compound Name(5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2-hydroxyethyl]oxolan-2-one
PubChem CID134840108
Molecular FormulaC12H24O4Si
Molecular Weight260.41 g/mol
Exact Mass260.14
IUPAC Name(5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2-hydroxyethyl]oxolan-2-one
SMILESCC(C)(C)[Si](C)(C)O[C@H](CO)[C@H]1CCC(=O)O1
InChIInChI=1S/C12H24O4Si/c1-12(2,3)17(4,5)16-10(8-13)9-6-7-11(14)15-9/h9-10,13H,6-8H2,1-5H3/t9-,10-/m1/s1
InChIKeyDNXSKLAIYLTVRZ-NXEZZACHSA-N
XLogP2.07
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(5R)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]oxolan-2-one
CID 10499676
(5R)-5-[(1R,2R)-1-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxypropyl]oxolan-2-one
CID 10779889
(4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxyoxolan-2-one
CID 11746945
(4S,5S)-5-[(1S)-1-hydroxyethyl]-4-trimethylsilyloxolan-2-one
CID 13789597
methyl (2R,3S,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-(hydroxymethyl)oxolane-2-carboxylate
CID 14483580
(3R,4S,5S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]oxolan-2-one
CID 15318716
ethyl (2S,3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxyhexanoate
CID 23631762
ethyl (2R,3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxyhexanoate
CID 24823367
methyl (3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-5-methoxyhexanoate
CID 72945079
3-[(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]propanoic acid
CID 102368860
(4R,5S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-6-methyloxan-2-one
CID 135037138
ethyl (5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxyhexanoate
CID 135038443

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2-hydroxyethyl]oxolan-2-one?
The IUPAC name of (5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2-hydroxyethyl]oxolan-2-one (CID 134840108) is (5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2-hydroxyethyl]oxolan-2-one.
What is the SMILES notation for (5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2-hydroxyethyl]oxolan-2-one?
The canonical SMILES for (5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2-hydroxyethyl]oxolan-2-one is CC(C)(C)[Si](C)(C)O[C@H](CO)[C@H]1CCC(=O)O1.
What is the InChIKey of (5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2-hydroxyethyl]oxolan-2-one?
The InChIKey is DNXSKLAIYLTVRZ-NXEZZACHSA-N. The full InChI is InChI=1S/C12H24O4Si/c1-12(2,3)17(4,5)16-10(8-13)9-6-7-11(14)15-9/h9-10,13H,6-8H2,1-5H3/t9-,10-/m1/s1.
What are the key properties of (5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2-hydroxyethyl]oxolan-2-one?
(5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2-hydroxyethyl]oxolan-2-one has a molecular weight of 260.41 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2-hydroxyethyl]oxolan-2-one is sourced from PubChem (CID 134840108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).