methyl (E,3R)-3-[tert-butyl(dimethyl)silyl]oxy-7-hydroxyhept-5-enoate

C14H28O4Si — CID 10424227

IUPACmethyl (E,3R)-3-[tert-butyl(dimethyl)silyl]oxy-7-hydroxyhept-5-enoate
SMILESCOC(=O)C[C@@H](C/C=C/CO)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H28O4Si/c1-14(2,3)19(5,6)18-12(9-7-8-10-15)11-13(16)17-4/h7-8,12,15H,9-11H2,1-6H3/b8-7+/t12-/m1/s1
InChIKeyGDDSFUPSICRROY-ABZNLYFFSA-N
MW288.46 g/mol
LogP2.88
Rot. Bonds7

About methyl (E,3R)-3-[tert-butyl(dimethyl)silyl]oxy-7-hydroxyhept-5-enoate

methyl (E,3R)-3-[tert-butyl(dimethyl)silyl]oxy-7-hydroxyhept-5-enoate (PubChem CID 10424227) has the molecular formula C14H28O4Si and a molecular weight of 288.46 g/mol. Its IUPAC name is methyl (E,3R)-3-[tert-butyl(dimethyl)silyl]oxy-7-hydroxyhept-5-enoate.

Molecular Properties

Compound Namemethyl (E,3R)-3-[tert-butyl(dimethyl)silyl]oxy-7-hydroxyhept-5-enoate
PubChem CID10424227
Molecular FormulaC14H28O4Si
Molecular Weight288.46 g/mol
Exact Mass288.18
IUPAC Namemethyl (E,3R)-3-[tert-butyl(dimethyl)silyl]oxy-7-hydroxyhept-5-enoate
SMILESCOC(=O)C[C@@H](C/C=C/CO)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H28O4Si/c1-14(2,3)19(5,6)18-12(9-7-8-10-15)11-13(16)17-4/h7-8,12,15H,9-11H2,1-6H3/b8-7+/t12-/m1/s1
InChIKeyGDDSFUPSICRROY-ABZNLYFFSA-N
XLogP2.88
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 52.88
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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Related Compounds

methyl 3-[tert-butyl(dimethyl)silyl]oxy-4-[(2S,3S)-3-(hydroxymethyl)oxiran-2-yl]butanoate
CID 10267051
methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-6-iodo-5-oxohexanoate
CID 89272980
methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxytetradecanoate
CID 58160475
methyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-oxobutanoate
CID 15202310
methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-(2-methyl-1,3-dioxolan-2-yl)butanoate
CID 90371671
dimethyl (2R)-2-[tert-butyl(dimethyl)silyl]oxybutanedioate
CID 102115680
methyl (11Z,14Z)-3-[tert-butyl(dimethyl)silyl]oxyicosa-11,14-dienoate
CID 86678084
methane;methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxohexanoate;methyl (3R)-3-hydroxyhex-5-enoate;methyl (3R)-3-hydroxy-5-oxohexanoate
CID 158941536
methyl 5-[tert-butyl(dimethyl)silyl]oxy-3-oxoheptanoate
CID 74025798
(Z,5R)-5-[tert-butyl(dimethyl)silyl]oxy-6-trityloxyhex-2-en-1-ol
CID 135015770
deuterio(fluoro)methane;methyl 3-[tert-butyl(dimethyl)silyl]oxy-5-oxohexanoate;methyl 3-hydroxy-5-oxohexanoate
CID 161088796
methyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-(2,4,5-trifluorophenyl)butanoate
CID 175036286

Frequently Asked Questions

What is the IUPAC name of methyl (E,3R)-3-[tert-butyl(dimethyl)silyl]oxy-7-hydroxyhept-5-enoate?
The IUPAC name of methyl (E,3R)-3-[tert-butyl(dimethyl)silyl]oxy-7-hydroxyhept-5-enoate (CID 10424227) is methyl (E,3R)-3-[tert-butyl(dimethyl)silyl]oxy-7-hydroxyhept-5-enoate.
What is the SMILES notation for methyl (E,3R)-3-[tert-butyl(dimethyl)silyl]oxy-7-hydroxyhept-5-enoate?
The canonical SMILES for methyl (E,3R)-3-[tert-butyl(dimethyl)silyl]oxy-7-hydroxyhept-5-enoate is COC(=O)C[C@@H](C/C=C/CO)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl (E,3R)-3-[tert-butyl(dimethyl)silyl]oxy-7-hydroxyhept-5-enoate?
The InChIKey is GDDSFUPSICRROY-ABZNLYFFSA-N. The full InChI is InChI=1S/C14H28O4Si/c1-14(2,3)19(5,6)18-12(9-7-8-10-15)11-13(16)17-4/h7-8,12,15H,9-11H2,1-6H3/b8-7+/t12-/m1/s1.
What are the key properties of methyl (E,3R)-3-[tert-butyl(dimethyl)silyl]oxy-7-hydroxyhept-5-enoate?
methyl (E,3R)-3-[tert-butyl(dimethyl)silyl]oxy-7-hydroxyhept-5-enoate has a molecular weight of 288.46 g/mol, XLogP of 2.88, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E,3R)-3-[tert-butyl(dimethyl)silyl]oxy-7-hydroxyhept-5-enoate is sourced from PubChem (CID 10424227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).