methyl (E)-5-[tert-butyl(dimethyl)silyl]oxyhex-2-enoate

C13H26O3Si — CID 5368148

IUPACmethyl (E)-5-[tert-butyl(dimethyl)silyl]oxyhex-2-enoate
SMILESCOC(=O)/C=C/CC(C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H26O3Si/c1-11(9-8-10-12(14)15-5)16-17(6,7)13(2,3)4/h8,10-11H,9H2,1-7H3/b10-8+
InChIKeyJZACRADDHGBASF-CSKARUKUSA-N
MW258.43 g/mol
LogP3.52
Rot. Bonds5

About methyl (E)-5-[tert-butyl(dimethyl)silyl]oxyhex-2-enoate

methyl (E)-5-[tert-butyl(dimethyl)silyl]oxyhex-2-enoate (PubChem CID 5368148) has the molecular formula C13H26O3Si and a molecular weight of 258.43 g/mol. Its IUPAC name is methyl (E)-5-[tert-butyl(dimethyl)silyl]oxyhex-2-enoate.

Molecular Properties

Compound Namemethyl (E)-5-[tert-butyl(dimethyl)silyl]oxyhex-2-enoate
PubChem CID5368148
Molecular FormulaC13H26O3Si
Molecular Weight258.43 g/mol
Exact Mass258.17
IUPAC Namemethyl (E)-5-[tert-butyl(dimethyl)silyl]oxyhex-2-enoate
SMILESCOC(=O)/C=C/CC(C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H26O3Si/c1-11(9-8-10-12(14)15-5)16-17(6,7)13(2,3)4/h8,10-11H,9H2,1-7H3/b10-8+
InChIKeyJZACRADDHGBASF-CSKARUKUSA-N
XLogP3.52
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.43
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

ethyl (E)-5-[tert-butyl(dimethyl)silyl]oxypent-2-enoate
CID 5468981
ethyl (E)-2-fluoro-5-(tertbutyldimethylsilyloxy)-2-pentenoate
CID 59912784
ethyl (E,5R)-5-[tert-butyl(dimethyl)silyl]oxy-6,6,6-trifluorohex-2-enoate
CID 11681414
ethyl (2Z,4E,7S,8E)-7-[tert-butyl(dimethyl)silyl]oxy-10-oxodeca-2,4,8-trienoate
CID 11186803
methyl (E)-4-[tert-butyl(dimethyl)silyl]oxypent-2-enoate
CID 13838010
methyl (E,4S)-4-[tert-butyl(dimethyl)silyl]oxypent-2-enoate
CID 13838011
methyl (2E,7Z)-10-trimethylsilylundeca-2,7-dienoate
CID 14617535
ethyl (E)-6-trimethylsilyloxyhex-2-enoate
CID 15947845
methyl (Z)-4-[tert-butyl(dimethyl)silyl]oxypent-2-enoate
CID 134907379
[(2Z,4E,8Z)-1-[tert-butyl(dimethyl)silyl]oxyundeca-2,4,8-trien-6-yl] acetate
CID 134946270
ethyl (E,5R)-5-[tert-butyl(dimethyl)silyl]oxyhex-2-enoate
CID 10084653
(E)-ethyl 6-(tert-butyldimethylsilyloxy)hex-2-enoate
CID 10826090

Frequently Asked Questions

What is the IUPAC name of methyl (E)-5-[tert-butyl(dimethyl)silyl]oxyhex-2-enoate?
The IUPAC name of methyl (E)-5-[tert-butyl(dimethyl)silyl]oxyhex-2-enoate (CID 5368148) is methyl (E)-5-[tert-butyl(dimethyl)silyl]oxyhex-2-enoate.
What is the SMILES notation for methyl (E)-5-[tert-butyl(dimethyl)silyl]oxyhex-2-enoate?
The canonical SMILES for methyl (E)-5-[tert-butyl(dimethyl)silyl]oxyhex-2-enoate is COC(=O)/C=C/CC(C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl (E)-5-[tert-butyl(dimethyl)silyl]oxyhex-2-enoate?
The InChIKey is JZACRADDHGBASF-CSKARUKUSA-N. The full InChI is InChI=1S/C13H26O3Si/c1-11(9-8-10-12(14)15-5)16-17(6,7)13(2,3)4/h8,10-11H,9H2,1-7H3/b10-8+.
What are the key properties of methyl (E)-5-[tert-butyl(dimethyl)silyl]oxyhex-2-enoate?
methyl (E)-5-[tert-butyl(dimethyl)silyl]oxyhex-2-enoate has a molecular weight of 258.43 g/mol, XLogP of 3.52, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-5-[tert-butyl(dimethyl)silyl]oxyhex-2-enoate is sourced from PubChem (CID 5368148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).