methyl (2S,5R)-6-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-2-hydroxy-5-methyl-4-oxohexanoate

C16H32O5Si — CID 11142170

IUPACmethyl (2S,5R)-6-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-2-hydroxy-5-methyl-4-oxohexanoate
SMILESCOC(=O)[C@@H](O)CC(=O)[C@H](C)CO[Si](C)(C)C(C)(C)C(C)C
InChIInChI=1S/C16H32O5Si/c1-11(2)16(4,5)22(7,8)21-10-12(3)13(17)9-14(18)15(19)20-6/h11-12,14,18H,9-10H2,1-8H3/t12-,14+/m1/s1
InChIKeyKUQSEJQLAADGOQ-OCCSQVGLSA-N
MW332.51 g/mol
LogP2.77
Rot. Bonds9

About methyl (2S,5R)-6-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-2-hydroxy-5-methyl-4-oxohexanoate

methyl (2S,5R)-6-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-2-hydroxy-5-methyl-4-oxohexanoate (PubChem CID 11142170) has the molecular formula C16H32O5Si and a molecular weight of 332.51 g/mol. Its IUPAC name is methyl (2S,5R)-6-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-2-hydroxy-5-methyl-4-oxohexanoate.

Molecular Properties

Compound Namemethyl (2S,5R)-6-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-2-hydroxy-5-methyl-4-oxohexanoate
PubChem CID11142170
Molecular FormulaC16H32O5Si
Molecular Weight332.51 g/mol
Exact Mass332.20
IUPAC Namemethyl (2S,5R)-6-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-2-hydroxy-5-methyl-4-oxohexanoate
SMILESCOC(=O)[C@@H](O)CC(=O)[C@H](C)CO[Si](C)(C)C(C)(C)C(C)C
InChIInChI=1S/C16H32O5Si/c1-11(2)16(4,5)22(7,8)21-10-12(3)13(17)9-14(18)15(19)20-6/h11-12,14,18H,9-10H2,1-8H3/t12-,14+/m1/s1
InChIKeyKUQSEJQLAADGOQ-OCCSQVGLSA-N
XLogP2.77
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.51
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-methyl-4-oxohexanoate with MolForge

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Launch Full Analysis

Related Compounds

(2S)-2-[(3S,4R)-4,5-dimethyl-3-tri(propan-2-yl)silyloxyhexanoyl]oxy-3-methylbutanoic acid
CID 58901295
methyl (2S,5R)-6-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-2-hydroxy-5-methylhexanoate
CID 10980091

Frequently Asked Questions

What is the IUPAC name of methyl (2S,5R)-6-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-2-hydroxy-5-methyl-4-oxohexanoate?
The IUPAC name of methyl (2S,5R)-6-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-2-hydroxy-5-methyl-4-oxohexanoate (CID 11142170) is methyl (2S,5R)-6-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-2-hydroxy-5-methyl-4-oxohexanoate.
What is the SMILES notation for methyl (2S,5R)-6-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-2-hydroxy-5-methyl-4-oxohexanoate?
The canonical SMILES for methyl (2S,5R)-6-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-2-hydroxy-5-methyl-4-oxohexanoate is COC(=O)[C@@H](O)CC(=O)[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-methyl-4-oxohexanoate?
The InChIKey is KUQSEJQLAADGOQ-OCCSQVGLSA-N. The full InChI is InChI=1S/C16H32O5Si/c1-11(2)16(4,5)22(7,8)21-10-12(3)13(17)9-14(18)15(19)20-6/h11-12,14,18H,9-10H2,1-8H3/t12-,14+/m1/s1.
What are the key properties of methyl (2S,5R)-6-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-2-hydroxy-5-methyl-4-oxohexanoate?
methyl (2S,5R)-6-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-2-hydroxy-5-methyl-4-oxohexanoate has a molecular weight of 332.51 g/mol, XLogP of 2.77, 9 rotatable bonds, 1 hydrogen bond donors, and 5 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-methyl-4-oxohexanoate is sourced from PubChem (CID 11142170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).