methyl (2R,5S)-5-acetyloxy-2-methyl-6-triethylsilyloxyhex-3-enoate

C16H30O5Si — CID 6612657

IUPACmethyl (2R,5S)-5-acetyloxy-2-methyl-6-triethylsilyloxyhex-3-enoate
SMILESCC[Si](CC)(CC)OC[C@H](C=C[C@@H](C)C(=O)OC)OC(C)=O
InChIInChI=1S/C16H30O5Si/c1-7-22(8-2,9-3)20-12-15(21-14(5)17)11-10-13(4)16(18)19-6/h10-11,13,15H,7-9,12H2,1-6H3/t13-,15+/m1/s1
InChIKeyXXBWJFZLAGVRHG-HIFRSBDPSA-N
MW330.50 g/mol
LogP3.31
Rot. Bonds10

About methyl (2R,5S)-5-acetyloxy-2-methyl-6-triethylsilyloxyhex-3-enoate

methyl (2R,5S)-5-acetyloxy-2-methyl-6-triethylsilyloxyhex-3-enoate (PubChem CID 6612657) has the molecular formula C16H30O5Si and a molecular weight of 330.50 g/mol. Its IUPAC name is methyl (2R,5S)-5-acetyloxy-2-methyl-6-triethylsilyloxyhex-3-enoate.

Molecular Properties

Compound Namemethyl (2R,5S)-5-acetyloxy-2-methyl-6-triethylsilyloxyhex-3-enoate
PubChem CID6612657
Molecular FormulaC16H30O5Si
Molecular Weight330.50 g/mol
Exact Mass330.19
IUPAC Namemethyl (2R,5S)-5-acetyloxy-2-methyl-6-triethylsilyloxyhex-3-enoate
SMILESCC[Si](CC)(CC)OC[C@H](C=C[C@@H](C)C(=O)OC)OC(C)=O
InChIInChI=1S/C16H30O5Si/c1-7-22(8-2,9-3)20-12-15(21-14(5)17)11-10-13(4)16(18)19-6/h10-11,13,15H,7-9,12H2,1-6H3/t13-,15+/m1/s1
InChIKeyXXBWJFZLAGVRHG-HIFRSBDPSA-N
XLogP3.31
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.50
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 (2R,5S)-5-acetyloxy-2-methyl-6-triethylsilyloxyhex-3-enoate?
The IUPAC name of methyl (2R,5S)-5-acetyloxy-2-methyl-6-triethylsilyloxyhex-3-enoate (CID 6612657) is methyl (2R,5S)-5-acetyloxy-2-methyl-6-triethylsilyloxyhex-3-enoate.
What is the SMILES notation for methyl (2R,5S)-5-acetyloxy-2-methyl-6-triethylsilyloxyhex-3-enoate?
The canonical SMILES for methyl (2R,5S)-5-acetyloxy-2-methyl-6-triethylsilyloxyhex-3-enoate is CC[Si](CC)(CC)OC[C@H](C=C[C@@H](C)C(=O)OC)OC(C)=O.
What is the InChIKey of methyl (2R,5S)-5-acetyloxy-2-methyl-6-triethylsilyloxyhex-3-enoate?
The InChIKey is XXBWJFZLAGVRHG-HIFRSBDPSA-N. The full InChI is InChI=1S/C16H30O5Si/c1-7-22(8-2,9-3)20-12-15(21-14(5)17)11-10-13(4)16(18)19-6/h10-11,13,15H,7-9,12H2,1-6H3/t13-,15+/m1/s1.
What are the key properties of methyl (2R,5S)-5-acetyloxy-2-methyl-6-triethylsilyloxyhex-3-enoate?
methyl (2R,5S)-5-acetyloxy-2-methyl-6-triethylsilyloxyhex-3-enoate has a molecular weight of 330.50 g/mol, XLogP of 3.31, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,5S)-5-acetyloxy-2-methyl-6-triethylsilyloxyhex-3-enoate is sourced from PubChem (CID 6612657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).