methyl (2S,3S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylpentanoate

C19H42O4Si2 — CID 10938013

IUPACmethyl (2S,3S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylpentanoate
SMILESCOC(=O)[C@@H](C)[C@H](CCO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H42O4Si2/c1-15(17(20)21-8)16(23-25(11,12)19(5,6)7)13-14-22-24(9,10)18(2,3)4/h15-16H,13-14H2,1-12H3/t15-,16-/m0/s1
InChIKeyZJBLXGMRFLNDLI-HOTGVXAUSA-N
MW390.71 g/mol
LogP5.60
Rot. Bonds8

About methyl (2S,3S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylpentanoate

methyl (2S,3S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylpentanoate (PubChem CID 10938013) has the molecular formula C19H42O4Si2 and a molecular weight of 390.71 g/mol. Its IUPAC name is methyl (2S,3S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylpentanoate.

Molecular Properties

Compound Namemethyl (2S,3S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylpentanoate
PubChem CID10938013
Molecular FormulaC19H42O4Si2
Molecular Weight390.71 g/mol
Exact Mass390.26
IUPAC Namemethyl (2S,3S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylpentanoate
SMILESCOC(=O)[C@@H](C)[C@H](CCO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H42O4Si2/c1-15(17(20)21-8)16(23-25(11,12)19(5,6)7)13-14-22-24(9,10)18(2,3)4/h15-16H,13-14H2,1-12H3/t15-,16-/m0/s1
InChIKeyZJBLXGMRFLNDLI-HOTGVXAUSA-N
XLogP5.60
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.71
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl (2S,3S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylpentanoate with MolForge

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Related Compounds

(R)-tert-Butyl ethyl 3-(tert-butyldimethylsiloxy)glutarate
CID 25034097
Mevalonic acid, triTBDMS
CID 553829
Dimethyl 3-([tert-butyl(dimethyl)silyl]oxy)pentanedioate
CID 560716
1-O-[tert-butyl(dimethyl)silyl] 5-O-methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanedioate
CID 10787430
[(2S,3R)-3-methyl-4-oxohexan-2-yl] (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpentanoate
CID 10882872
methyl (2R,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-5-oxopentanoate
CID 11266221
ethyl (2R,3S,4S)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,4-dimethylpentanoate
CID 11278132
methyl (2R,3R)-2-methyl-3-triethylsilyloxypentanoate
CID 16731925
ethyl (2R,3S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,4-dimethylpentanoate
CID 134856614
tert-butyl (2R,3R,4R)-2,4-dimethyl-5-oxo-3-tri(propan-2-yl)silyloxypentanoate
CID 135012524
tert-butyl (2R,3R,4S)-5-hydroxy-2,4-dimethyl-3-tri(propan-2-yl)silyloxypentanoate
CID 135012525
3-Hydroxyglutaric acid, triTBDMS
CID 6430555

Frequently Asked Questions

What is the IUPAC name of methyl (2S,3S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylpentanoate?
The IUPAC name of methyl (2S,3S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylpentanoate (CID 10938013) is methyl (2S,3S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylpentanoate.
What is the SMILES notation for methyl (2S,3S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylpentanoate?
The canonical SMILES for methyl (2S,3S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylpentanoate is COC(=O)[C@@H](C)[C@H](CCO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl (2S,3S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylpentanoate?
The InChIKey is ZJBLXGMRFLNDLI-HOTGVXAUSA-N. The full InChI is InChI=1S/C19H42O4Si2/c1-15(17(20)21-8)16(23-25(11,12)19(5,6)7)13-14-22-24(9,10)18(2,3)4/h15-16H,13-14H2,1-12H3/t15-,16-/m0/s1.
What are the key properties of methyl (2S,3S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylpentanoate?
methyl (2S,3S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylpentanoate has a molecular weight of 390.71 g/mol, XLogP of 5.60, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S,3S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylpentanoate is sourced from PubChem (CID 10938013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).