tert-butyl (3R,5S)-3,5-dihydroxy-5-[(2S,3R)-3-trimethylsilyloxiran-2-yl]pentanoate

C14H28O5Si — CID 134879057

IUPACtert-butyl (3R,5S)-3,5-dihydroxy-5-[(2S,3R)-3-trimethylsilyloxiran-2-yl]pentanoate
SMILESCC(C)(C)OC(=O)C[C@H](O)C[C@H](O)[C@@H]1O[C@@H]1[Si](C)(C)C
InChIInChI=1S/C14H28O5Si/c1-14(2,3)19-11(17)8-9(15)7-10(16)12-13(18-12)20(4,5)6/h9-10,12-13,15-16H,7-8H2,1-6H3/t9-,10+,12+,13-/m1/s1
InChIKeyAYUBEICNIHQIJN-RSLMWUCJSA-N
MW304.46 g/mol
LogP1.47
Rot. Bonds6

About tert-butyl (3R,5S)-3,5-dihydroxy-5-[(2S,3R)-3-trimethylsilyloxiran-2-yl]pentanoate

tert-butyl (3R,5S)-3,5-dihydroxy-5-[(2S,3R)-3-trimethylsilyloxiran-2-yl]pentanoate (PubChem CID 134879057) has the molecular formula C14H28O5Si and a molecular weight of 304.46 g/mol. Its IUPAC name is tert-butyl (3R,5S)-3,5-dihydroxy-5-[(2S,3R)-3-trimethylsilyloxiran-2-yl]pentanoate.

Molecular Properties

Compound Nametert-butyl (3R,5S)-3,5-dihydroxy-5-[(2S,3R)-3-trimethylsilyloxiran-2-yl]pentanoate
PubChem CID134879057
Molecular FormulaC14H28O5Si
Molecular Weight304.46 g/mol
Exact Mass304.17
IUPAC Nametert-butyl (3R,5S)-3,5-dihydroxy-5-[(2S,3R)-3-trimethylsilyloxiran-2-yl]pentanoate
SMILESCC(C)(C)OC(=O)C[C@H](O)C[C@H](O)[C@@H]1O[C@@H]1[Si](C)(C)C
InChIInChI=1S/C14H28O5Si/c1-14(2,3)19-11(17)8-9(15)7-10(16)12-13(18-12)20(4,5)6/h9-10,12-13,15-16H,7-8H2,1-6H3/t9-,10+,12+,13-/m1/s1
InChIKeyAYUBEICNIHQIJN-RSLMWUCJSA-N
XLogP1.47
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(5R)-5-[(1R,2R)-1-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxypropyl]oxolan-2-one
CID 10779889
tert-butyl (3R,5S)-3,5-dihydroxy-6-tri(propan-2-yl)silyloxyhexanoate
CID 11485711
ethyl (2S,3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxyhexanoate
CID 23631762
ethyl (2S,3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxyoctanoate
CID 23642893
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
(2r,3s,6s)-Ethyl 6-(t-butyldimethylsilyloxy)-2,3-dihydroxyheptanoate
CID 129843402
methyl (3R,5R,6R)-3,5-dihydroxy-6-tri(propan-2-yl)silyloxyheptanoate
CID 134930704
methyl (3S,5R,6R)-3,5-dihydroxy-6-tri(propan-2-yl)silyloxyheptanoate
CID 134930705
ethyl (5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxyhexanoate
CID 135038443
tert-butyl (2R,3R)-2,3-dihydroxy-3-[(2S,3S)-3-propyloxiran-2-yl]propanoate
CID 139248478
tert-butyl (2S,3S)-2,3-dihydroxy-3-[(2S,3S)-3-propyloxiran-2-yl]propanoate
CID 139248481

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R,5S)-3,5-dihydroxy-5-[(2S,3R)-3-trimethylsilyloxiran-2-yl]pentanoate?
The IUPAC name of tert-butyl (3R,5S)-3,5-dihydroxy-5-[(2S,3R)-3-trimethylsilyloxiran-2-yl]pentanoate (CID 134879057) is tert-butyl (3R,5S)-3,5-dihydroxy-5-[(2S,3R)-3-trimethylsilyloxiran-2-yl]pentanoate.
What is the SMILES notation for tert-butyl (3R,5S)-3,5-dihydroxy-5-[(2S,3R)-3-trimethylsilyloxiran-2-yl]pentanoate?
The canonical SMILES for tert-butyl (3R,5S)-3,5-dihydroxy-5-[(2S,3R)-3-trimethylsilyloxiran-2-yl]pentanoate is CC(C)(C)OC(=O)C[C@H](O)C[C@H](O)[C@@H]1O[C@@H]1[Si](C)(C)C.
What is the InChIKey of tert-butyl (3R,5S)-3,5-dihydroxy-5-[(2S,3R)-3-trimethylsilyloxiran-2-yl]pentanoate?
The InChIKey is AYUBEICNIHQIJN-RSLMWUCJSA-N. The full InChI is InChI=1S/C14H28O5Si/c1-14(2,3)19-11(17)8-9(15)7-10(16)12-13(18-12)20(4,5)6/h9-10,12-13,15-16H,7-8H2,1-6H3/t9-,10+,12+,13-/m1/s1.
What are the key properties of tert-butyl (3R,5S)-3,5-dihydroxy-5-[(2S,3R)-3-trimethylsilyloxiran-2-yl]pentanoate?
tert-butyl (3R,5S)-3,5-dihydroxy-5-[(2S,3R)-3-trimethylsilyloxiran-2-yl]pentanoate has a molecular weight of 304.46 g/mol, XLogP of 1.47, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R,5S)-3,5-dihydroxy-5-[(2S,3R)-3-trimethylsilyloxiran-2-yl]pentanoate is sourced from PubChem (CID 134879057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).