methyl (5S)-6-[tert-butyl(dimethyl)silyl]oxy-3-oxo-5-prop-2-enoxyhexanoate

C16H30O5Si — CID 135029957

IUPACmethyl (5S)-6-[tert-butyl(dimethyl)silyl]oxy-3-oxo-5-prop-2-enoxyhexanoate
SMILESC=CCO[C@H](CO[Si](C)(C)C(C)(C)C)CC(=O)CC(=O)OC
InChIInChI=1S/C16H30O5Si/c1-8-9-20-14(10-13(17)11-15(18)19-5)12-21-22(6,7)16(2,3)4/h8,14H,1,9-12H2,2-7H3/t14-/m0/s1
InChIKeyLCQPUPAEOMRFAP-AWEZNQCLSA-N
MW330.50 g/mol
LogP3.10
Rot. Bonds10

About methyl (5S)-6-[tert-butyl(dimethyl)silyl]oxy-3-oxo-5-prop-2-enoxyhexanoate

methyl (5S)-6-[tert-butyl(dimethyl)silyl]oxy-3-oxo-5-prop-2-enoxyhexanoate (PubChem CID 135029957) has the molecular formula C16H30O5Si and a molecular weight of 330.50 g/mol. Its IUPAC name is methyl (5S)-6-[tert-butyl(dimethyl)silyl]oxy-3-oxo-5-prop-2-enoxyhexanoate.

Molecular Properties

Compound Namemethyl (5S)-6-[tert-butyl(dimethyl)silyl]oxy-3-oxo-5-prop-2-enoxyhexanoate
PubChem CID135029957
Molecular FormulaC16H30O5Si
Molecular Weight330.50 g/mol
Exact Mass330.19
IUPAC Namemethyl (5S)-6-[tert-butyl(dimethyl)silyl]oxy-3-oxo-5-prop-2-enoxyhexanoate
SMILESC=CCO[C@H](CO[Si](C)(C)C(C)(C)C)CC(=O)CC(=O)OC
InChIInChI=1S/C16H30O5Si/c1-8-9-20-14(10-13(17)11-15(18)19-5)12-21-22(6,7)16(2,3)4/h8,14H,1,9-12H2,2-7H3/t14-/m0/s1
InChIKeyLCQPUPAEOMRFAP-AWEZNQCLSA-N
XLogP3.10
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 ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'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 (5S)-6-[tert-butyl(dimethyl)silyl]oxy-3-oxo-5-prop-2-enoxyhexanoate?
The IUPAC name of methyl (5S)-6-[tert-butyl(dimethyl)silyl]oxy-3-oxo-5-prop-2-enoxyhexanoate (CID 135029957) is methyl (5S)-6-[tert-butyl(dimethyl)silyl]oxy-3-oxo-5-prop-2-enoxyhexanoate.
What is the SMILES notation for methyl (5S)-6-[tert-butyl(dimethyl)silyl]oxy-3-oxo-5-prop-2-enoxyhexanoate?
The canonical SMILES for methyl (5S)-6-[tert-butyl(dimethyl)silyl]oxy-3-oxo-5-prop-2-enoxyhexanoate is C=CCO[C@H](CO[Si](C)(C)C(C)(C)C)CC(=O)CC(=O)OC.
What is the InChIKey of methyl (5S)-6-[tert-butyl(dimethyl)silyl]oxy-3-oxo-5-prop-2-enoxyhexanoate?
The InChIKey is LCQPUPAEOMRFAP-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H30O5Si/c1-8-9-20-14(10-13(17)11-15(18)19-5)12-21-22(6,7)16(2,3)4/h8,14H,1,9-12H2,2-7H3/t14-/m0/s1.
What are the key properties of methyl (5S)-6-[tert-butyl(dimethyl)silyl]oxy-3-oxo-5-prop-2-enoxyhexanoate?
methyl (5S)-6-[tert-butyl(dimethyl)silyl]oxy-3-oxo-5-prop-2-enoxyhexanoate has a molecular weight of 330.50 g/mol, XLogP of 3.10, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (5S)-6-[tert-butyl(dimethyl)silyl]oxy-3-oxo-5-prop-2-enoxyhexanoate is sourced from PubChem (CID 135029957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).