methyl (2S,3R,4S)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-2,3-dihydroxy-4-methylhexanoate

C17H36O5Si — CID 10893444

IUPACmethyl (2S,3R,4S)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-2,3-dihydroxy-4-methylhexanoate
SMILESCC[C@H](C)[C@@H](O)[C@@](O)(CCCO[Si](C)(C)C(C)(C)C)C(=O)OC
InChIInChI=1S/C17H36O5Si/c1-9-13(2)14(18)17(20,15(19)21-6)11-10-12-22-23(7,8)16(3,4)5/h13-14,18,20H,9-12H2,1-8H3/t13-,14+,17-/m0/s1
InChIKeyXCLCTMKCIKSVRX-VBQJREDUSA-N
MW348.56 g/mol
LogP3.10
Rot. Bonds9

About methyl (2S,3R,4S)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-2,3-dihydroxy-4-methylhexanoate

methyl (2S,3R,4S)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-2,3-dihydroxy-4-methylhexanoate (PubChem CID 10893444) has the molecular formula C17H36O5Si and a molecular weight of 348.56 g/mol. Its IUPAC name is methyl (2S,3R,4S)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-2,3-dihydroxy-4-methylhexanoate.

Molecular Properties

Compound Namemethyl (2S,3R,4S)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-2,3-dihydroxy-4-methylhexanoate
PubChem CID10893444
Molecular FormulaC17H36O5Si
Molecular Weight348.56 g/mol
Exact Mass348.23
IUPAC Namemethyl (2S,3R,4S)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-2,3-dihydroxy-4-methylhexanoate
SMILESCC[C@H](C)[C@@H](O)[C@@](O)(CCCO[Si](C)(C)C(C)(C)C)C(=O)OC
InChIInChI=1S/C17H36O5Si/c1-9-13(2)14(18)17(20,15(19)21-6)11-10-12-22-23(7,8)16(3,4)5/h13-14,18,20H,9-12H2,1-8H3/t13-,14+,17-/m0/s1
InChIKeyXCLCTMKCIKSVRX-VBQJREDUSA-N
XLogP3.10
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.56
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2S,3R,5R,6S,7S,8R,10R)-10-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxy-11-methoxy-5,7-dimethyl-6,8-bis(trimethylsilyloxy)undecan-4-one
CID 11028171
ethyl (2S,3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxyoctanoate
CID 23642893
(2R,3S,5R,6R)-3,6,9-tris[[tert-butyl(dimethyl)silyl]oxy]-5-methoxy-2,6-dimethylnonanoic acid
CID 54577710
(2R,3S,5R,6R)-3,9-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2,6-dimethyl-5-triethylsilyloxynonanoic acid
CID 54578144
Methyl (2rs,3rs,5s)-5-[t-butyl(dimethyl)-silyloxy]-2-hexyl-3-hydroxydecanoate
CID 129750031
Methyl (2rs,3rs,5s)-5-{[t-butyl(dimethyl)-silyl]oxy}-2-hexyl-3-hydroxyhexadecanoate
CID 129758874
(1R,3S,5R,7R,18S)-7-[tert-butyl(dimethyl)silyl]oxy-13-[(1R)-1,2-dihydroxyethyl]-3-methoxy-18-methyl-12,19,20-trioxatricyclo[13.3.1.15,9]icosan-11-one
CID 134841387
methyl (2R,4S,5S,6R,8S)-8-[tert-butyl(dimethyl)silyl]oxy-8-cyclohexyl-5-hydroxy-2,4,6-trimethyl-7-oxooctanoate
CID 134870353
methyl (2R,4S,5R,6S,8R)-8-[tert-butyl(dimethyl)silyl]oxy-8-cyclohexyl-5-hydroxy-2,4,6-trimethyl-7-oxooctanoate
CID 134904415
methyl (2R,4S,5R,6S,8S)-8-[tert-butyl(dimethyl)silyl]oxy-8-cyclohexyl-5-hydroxy-2,4,6-trimethyl-7-oxononanoate
CID 134905380
methyl (2R,4S,5S,6R,8S)-8-[tert-butyl(dimethyl)silyl]oxy-8-cyclohexyl-5-hydroxy-2,4,6-trimethyl-7-oxononanoate
CID 134905556
Diethyl 2-(3,4-dihydroxy-1-triethylsilyloxypentan-2-yl)-2-trimethylsilyloxypropanedioate
CID 134944757

Frequently Asked Questions

What is the IUPAC name of methyl (2S,3R,4S)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-2,3-dihydroxy-4-methylhexanoate?
The IUPAC name of methyl (2S,3R,4S)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-2,3-dihydroxy-4-methylhexanoate (CID 10893444) is methyl (2S,3R,4S)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-2,3-dihydroxy-4-methylhexanoate.
What is the SMILES notation for methyl (2S,3R,4S)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-2,3-dihydroxy-4-methylhexanoate?
The canonical SMILES for methyl (2S,3R,4S)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-2,3-dihydroxy-4-methylhexanoate is CC[C@H](C)[C@@H](O)[C@@](O)(CCCO[Si](C)(C)C(C)(C)C)C(=O)OC.
What is the InChIKey of methyl (2S,3R,4S)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-2,3-dihydroxy-4-methylhexanoate?
The InChIKey is XCLCTMKCIKSVRX-VBQJREDUSA-N. The full InChI is InChI=1S/C17H36O5Si/c1-9-13(2)14(18)17(20,15(19)21-6)11-10-12-22-23(7,8)16(3,4)5/h13-14,18,20H,9-12H2,1-8H3/t13-,14+,17-/m0/s1.
What are the key properties of methyl (2S,3R,4S)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-2,3-dihydroxy-4-methylhexanoate?
methyl (2S,3R,4S)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-2,3-dihydroxy-4-methylhexanoate has a molecular weight of 348.56 g/mol, XLogP of 3.10, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S,3R,4S)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-2,3-dihydroxy-4-methylhexanoate is sourced from PubChem (CID 10893444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).