methyl (2S,5R)-6-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-2-hydroxy-5-methylhexanoate

C16H34O4Si — CID 10980091

IUPACmethyl (2S,5R)-6-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-2-hydroxy-5-methylhexanoate
SMILESCOC(=O)[C@@H](O)CC[C@@H](C)CO[Si](C)(C)C(C)(C)C(C)C
InChIInChI=1S/C16H34O4Si/c1-12(2)16(4,5)21(7,8)20-11-13(3)9-10-14(17)15(18)19-6/h12-14,17H,9-11H2,1-8H3/t13-,14+/m1/s1
InChIKeyJUSXLWZJEOBFAW-KGLIPLIRSA-N
MW318.53 g/mol
LogP3.59
Rot. Bonds9

About methyl (2S,5R)-6-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-2-hydroxy-5-methylhexanoate

methyl (2S,5R)-6-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-2-hydroxy-5-methylhexanoate (PubChem CID 10980091) has the molecular formula C16H34O4Si and a molecular weight of 318.53 g/mol. Its IUPAC name is methyl (2S,5R)-6-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-2-hydroxy-5-methylhexanoate.

Molecular Properties

Compound Namemethyl (2S,5R)-6-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-2-hydroxy-5-methylhexanoate
PubChem CID10980091
Molecular FormulaC16H34O4Si
Molecular Weight318.53 g/mol
Exact Mass318.22
IUPAC Namemethyl (2S,5R)-6-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-2-hydroxy-5-methylhexanoate
SMILESCOC(=O)[C@@H](O)CC[C@@H](C)CO[Si](C)(C)C(C)(C)C(C)C
InChIInChI=1S/C16H34O4Si/c1-12(2)16(4,5)21(7,8)20-11-13(3)9-10-14(17)15(18)19-6/h12-14,17H,9-11H2,1-8H3/t13-,14+/m1/s1
InChIKeyJUSXLWZJEOBFAW-KGLIPLIRSA-N
XLogP3.59
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.53
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl (2S,5R)-6-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-2-hydroxy-5-methylhexanoate with MolForge

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Related Compounds

(2S)-2-[(3S,4R)-4,5-dimethyl-3-tri(propan-2-yl)silyloxyhexanoyl]oxy-3-methylbutanoic acid
CID 58901295
2-[2,3-Dimethylbutan-2-yl(dimethyl)silyl]oxy-4-methylhexanoic acid
CID 88616456
methyl (2S,5S)-6-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-2-hydroxy-5-methyl-4-methylidenehexanoate
CID 11012957
methyl (2S,5R)-6-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-2-hydroxy-5-methyl-4-oxohexanoate
CID 11142170
ethyl (2R,3R,4S,6R)-7-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxy-4,6-dimethylheptanoate
CID 11473515
methyl (2S,5R)-6-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-2-hydroxy-5-methyl-4-methylidenehexanoate
CID 11727258
ethyl (2S,3R,4S,6R)-7-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxy-4,6-dimethylheptanoate
CID 23251701

Frequently Asked Questions

What is the IUPAC name of methyl (2S,5R)-6-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-2-hydroxy-5-methylhexanoate?
The IUPAC name of methyl (2S,5R)-6-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-2-hydroxy-5-methylhexanoate (CID 10980091) is methyl (2S,5R)-6-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-2-hydroxy-5-methylhexanoate.
What is the SMILES notation for methyl (2S,5R)-6-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-2-hydroxy-5-methylhexanoate?
The canonical SMILES for methyl (2S,5R)-6-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-2-hydroxy-5-methylhexanoate is COC(=O)[C@@H](O)CC[C@@H](C)CO[Si](C)(C)C(C)(C)C(C)C.
What is the InChIKey of methyl (2S,5R)-6-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-2-hydroxy-5-methylhexanoate?
The InChIKey is JUSXLWZJEOBFAW-KGLIPLIRSA-N. The full InChI is InChI=1S/C16H34O4Si/c1-12(2)16(4,5)21(7,8)20-11-13(3)9-10-14(17)15(18)19-6/h12-14,17H,9-11H2,1-8H3/t13-,14+/m1/s1.
What are the key properties of methyl (2S,5R)-6-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-2-hydroxy-5-methylhexanoate?
methyl (2S,5R)-6-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-2-hydroxy-5-methylhexanoate has a molecular weight of 318.53 g/mol, XLogP of 3.59, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S,5R)-6-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-2-hydroxy-5-methylhexanoate is sourced from PubChem (CID 10980091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).