methyl (3S,4R)-4,5-dimethyl-3-tri(propan-2-yl)silyloxyhexanoate

C18H38O3Si — CID 91866402

IUPACmethyl (3S,4R)-4,5-dimethyl-3-tri(propan-2-yl)silyloxyhexanoate
SMILESCOC(=O)C[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@H](C)C(C)C
InChIInChI=1S/C18H38O3Si/c1-12(2)16(9)17(11-18(19)20-10)21-22(13(3)4,14(5)6)15(7)8/h12-17H,11H2,1-10H3/t16-,17+/m1/s1
InChIKeyMUHYABTZJWOQLE-SJORKVTESA-N
MW330.59 g/mol
LogP5.40
Rot. Bonds9

About methyl (3S,4R)-4,5-dimethyl-3-tri(propan-2-yl)silyloxyhexanoate

methyl (3S,4R)-4,5-dimethyl-3-tri(propan-2-yl)silyloxyhexanoate (PubChem CID 91866402) has the molecular formula C18H38O3Si and a molecular weight of 330.59 g/mol. Its IUPAC name is methyl (3S,4R)-4,5-dimethyl-3-tri(propan-2-yl)silyloxyhexanoate.

Molecular Properties

Compound Namemethyl (3S,4R)-4,5-dimethyl-3-tri(propan-2-yl)silyloxyhexanoate
PubChem CID91866402
Molecular FormulaC18H38O3Si
Molecular Weight330.59 g/mol
Exact Mass330.26
IUPAC Namemethyl (3S,4R)-4,5-dimethyl-3-tri(propan-2-yl)silyloxyhexanoate
SMILESCOC(=O)C[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@H](C)C(C)C
InChIInChI=1S/C18H38O3Si/c1-12(2)16(9)17(11-18(19)20-10)21-22(13(3)4,14(5)6)15(7)8/h12-17H,11H2,1-10H3/t16-,17+/m1/s1
InChIKeyMUHYABTZJWOQLE-SJORKVTESA-N
XLogP5.40
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.59
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(2S,3R)-3-methyl-4-oxohexan-2-yl] (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpentanoate
CID 10882872
(4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-methyloxepan-2-one
CID 11086444
Hexanoic acid, [3-(1,1,2-trimethylpropyl)dimethylsilyloxy-2-(ethoxycarbonyl)]propyl ester
CID 604412
[(3S,4R)-4-methyl-5-oxoheptan-3-yl] (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpentanoate
CID 11025129
Trimethylsilyl 2-ethyl-3-[(trimethylsilyl)oxy]hexanoate
CID 91718976
Methyl 10-methyl-3-(trimethylsilyloxy)dodecanoate
CID 91741657
Methyl 12-methyl-3-(trimethylsilyloxy)tetradecanoate
CID 91742821
Methyl 14-methyl-3-(trimethylsilyloxy)hexadecanoate
CID 91743754
Methyl (2R,3R,4S)-3-(tert-butyldimethylsilyloxy)-2,4-dimethylhexanoate
CID 134744518
Methyl 2,2,5-trimethyl-3-trimethylsilyloxyhexanoate
CID 10923291
[Tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxycyclopentane-1-carboxylate
CID 14711753
Methyl 2,2,3,5-tetramethyl-3-[(trimethylsilyl)oxy]hexanoate
CID 20459988

Frequently Asked Questions

What is the IUPAC name of methyl (3S,4R)-4,5-dimethyl-3-tri(propan-2-yl)silyloxyhexanoate?
The IUPAC name of methyl (3S,4R)-4,5-dimethyl-3-tri(propan-2-yl)silyloxyhexanoate (CID 91866402) is methyl (3S,4R)-4,5-dimethyl-3-tri(propan-2-yl)silyloxyhexanoate.
What is the SMILES notation for methyl (3S,4R)-4,5-dimethyl-3-tri(propan-2-yl)silyloxyhexanoate?
The canonical SMILES for methyl (3S,4R)-4,5-dimethyl-3-tri(propan-2-yl)silyloxyhexanoate is COC(=O)C[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@H](C)C(C)C.
What is the InChIKey of methyl (3S,4R)-4,5-dimethyl-3-tri(propan-2-yl)silyloxyhexanoate?
The InChIKey is MUHYABTZJWOQLE-SJORKVTESA-N. The full InChI is InChI=1S/C18H38O3Si/c1-12(2)16(9)17(11-18(19)20-10)21-22(13(3)4,14(5)6)15(7)8/h12-17H,11H2,1-10H3/t16-,17+/m1/s1.
What are the key properties of methyl (3S,4R)-4,5-dimethyl-3-tri(propan-2-yl)silyloxyhexanoate?
methyl (3S,4R)-4,5-dimethyl-3-tri(propan-2-yl)silyloxyhexanoate has a molecular weight of 330.59 g/mol, XLogP of 5.40, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3S,4R)-4,5-dimethyl-3-tri(propan-2-yl)silyloxyhexanoate is sourced from PubChem (CID 91866402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).