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

C17H34O4Si — CID 11727258

IUPACmethyl (2S,5R)-6-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-2-hydroxy-5-methyl-4-methylidenehexanoate
SMILESC=C(C[C@H](O)C(=O)OC)[C@@H](C)CO[Si](C)(C)C(C)(C)C(C)C
InChIInChI=1S/C17H34O4Si/c1-12(2)17(5,6)22(8,9)21-11-14(4)13(3)10-15(18)16(19)20-7/h12,14-15,18H,3,10-11H2,1-2,4-9H3/t14-,15-/m0/s1
InChIKeyMAEQJIWSCAULSY-GJZGRUSLSA-N
MW330.54 g/mol
LogP3.76
Rot. Bonds9

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

methyl (2S,5R)-6-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-2-hydroxy-5-methyl-4-methylidenehexanoate (PubChem CID 11727258) has the molecular formula C17H34O4Si and a molecular weight of 330.54 g/mol. Its IUPAC name is methyl (2S,5R)-6-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-2-hydroxy-5-methyl-4-methylidenehexanoate.

Molecular Properties

Compound Namemethyl (2S,5R)-6-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-2-hydroxy-5-methyl-4-methylidenehexanoate
PubChem CID11727258
Molecular FormulaC17H34O4Si
Molecular Weight330.54 g/mol
Exact Mass330.22
IUPAC Namemethyl (2S,5R)-6-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-2-hydroxy-5-methyl-4-methylidenehexanoate
SMILESC=C(C[C@H](O)C(=O)OC)[C@@H](C)CO[Si](C)(C)C(C)(C)C(C)C
InChIInChI=1S/C17H34O4Si/c1-12(2)17(5,6)22(8,9)21-11-14(4)13(3)10-15(18)16(19)20-7/h12,14-15,18H,3,10-11H2,1-2,4-9H3/t14-,15-/m0/s1
InChIKeyMAEQJIWSCAULSY-GJZGRUSLSA-N
XLogP3.76
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.54
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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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-methylidenehexanoate?
The IUPAC name of methyl (2S,5R)-6-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-2-hydroxy-5-methyl-4-methylidenehexanoate (CID 11727258) is methyl (2S,5R)-6-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-2-hydroxy-5-methyl-4-methylidenehexanoate.
What is the SMILES notation for methyl (2S,5R)-6-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-2-hydroxy-5-methyl-4-methylidenehexanoate?
The canonical SMILES for methyl (2S,5R)-6-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-2-hydroxy-5-methyl-4-methylidenehexanoate is C=C(C[C@H](O)C(=O)OC)[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-methylidenehexanoate?
The InChIKey is MAEQJIWSCAULSY-GJZGRUSLSA-N. The full InChI is InChI=1S/C17H34O4Si/c1-12(2)17(5,6)22(8,9)21-11-14(4)13(3)10-15(18)16(19)20-7/h12,14-15,18H,3,10-11H2,1-2,4-9H3/t14-,15-/m0/s1.
What are the key properties of methyl (2S,5R)-6-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-2-hydroxy-5-methyl-4-methylidenehexanoate?
methyl (2S,5R)-6-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-2-hydroxy-5-methyl-4-methylidenehexanoate has a molecular weight of 330.54 g/mol, XLogP of 3.76, 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-methyl-4-methylidenehexanoate is sourced from PubChem (CID 11727258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).