methyl (3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-5-methoxyhexanoate

C14H30O5Si — CID 72945079

IUPACmethyl (3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-5-methoxyhexanoate
SMILESCOC(=O)C[C@H](C[C@H](CO)OC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H30O5Si/c1-14(2,3)20(6,7)19-11(9-13(16)18-5)8-12(10-15)17-4/h11-12,15H,8-10H2,1-7H3/t11-,12+/m0/s1
InChIKeyUQVDVBAEDFXJKD-NWDGAFQWSA-N
MW306.48 g/mol
LogP2.34
Rot. Bonds8

About methyl (3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-5-methoxyhexanoate

methyl (3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-5-methoxyhexanoate (PubChem CID 72945079) has the molecular formula C14H30O5Si and a molecular weight of 306.48 g/mol. Its IUPAC name is methyl (3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-5-methoxyhexanoate.

Molecular Properties

Compound Namemethyl (3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-5-methoxyhexanoate
PubChem CID72945079
Molecular FormulaC14H30O5Si
Molecular Weight306.48 g/mol
Exact Mass306.19
IUPAC Namemethyl (3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-5-methoxyhexanoate
SMILESCOC(=O)C[C@H](C[C@H](CO)OC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H30O5Si/c1-14(2,3)20(6,7)19-11(9-13(16)18-5)8-12(10-15)17-4/h11-12,15H,8-10H2,1-7H3/t11-,12+/m0/s1
InChIKeyUQVDVBAEDFXJKD-NWDGAFQWSA-N
XLogP2.34
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.48
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(4R,6S)-4-(tert-butyldimethylsilyloxy)-6-(hydroxymethyl)-tetrahydropyran-2-one
CID 10659025
4-[Tert-butyl(dimethyl)silyl]oxy-6-(hydroxymethyl)oxan-2-one
CID 15189735
6-t-Butyldimethylsilyloxymethyl-4-hydroxytetrahydropyran-2-one
CID 19389468
(4R,6S)-4-(tert-butyldimethylsilyloxy)-6-(dihydroxymethyl)-tetrahydropyran-2-one
CID 44128178
tert-butyl (3R,5S)-3,5-dihydroxy-6-tri(propan-2-yl)silyloxyhexanoate
CID 11485711
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 (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)-3,6-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methoxyhexanoate
CID 102361535
(5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2-hydroxyethyl]oxolan-2-one
CID 134840108

Frequently Asked Questions

What is the IUPAC name of methyl (3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-5-methoxyhexanoate?
The IUPAC name of methyl (3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-5-methoxyhexanoate (CID 72945079) is methyl (3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-5-methoxyhexanoate.
What is the SMILES notation for methyl (3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-5-methoxyhexanoate?
The canonical SMILES for methyl (3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-5-methoxyhexanoate is COC(=O)C[C@H](C[C@H](CO)OC)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl (3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-5-methoxyhexanoate?
The InChIKey is UQVDVBAEDFXJKD-NWDGAFQWSA-N. The full InChI is InChI=1S/C14H30O5Si/c1-14(2,3)20(6,7)19-11(9-13(16)18-5)8-12(10-15)17-4/h11-12,15H,8-10H2,1-7H3/t11-,12+/m0/s1.
What are the key properties of methyl (3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-5-methoxyhexanoate?
methyl (3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-5-methoxyhexanoate has a molecular weight of 306.48 g/mol, XLogP of 2.34, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-5-methoxyhexanoate is sourced from PubChem (CID 72945079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).