ethyl (E,5R)-5-(methoxymethoxy)-8-trimethylsilyloct-2-en-7-ynoate

C15H26O4Si — CID 11748542

IUPACethyl (E,5R)-5-(methoxymethoxy)-8-trimethylsilyloct-2-en-7-ynoate
SMILESCCOC(=O)/C=C/C[C@H](CC#C[Si](C)(C)C)OCOC
InChIInChI=1S/C15H26O4Si/c1-6-18-15(16)11-7-9-14(19-13-17-2)10-8-12-20(3,4)5/h7,11,14H,6,9-10,13H2,1-5H3/b11-7+/t14-/m1/s1
InChIKeyCTFKPGZEDCSYAS-DPQIITEBSA-N
MW298.46 g/mol
LogP2.76
Rot. Bonds8

About ethyl (E,5R)-5-(methoxymethoxy)-8-trimethylsilyloct-2-en-7-ynoate

ethyl (E,5R)-5-(methoxymethoxy)-8-trimethylsilyloct-2-en-7-ynoate (PubChem CID 11748542) has the molecular formula C15H26O4Si and a molecular weight of 298.46 g/mol. Its IUPAC name is ethyl (E,5R)-5-(methoxymethoxy)-8-trimethylsilyloct-2-en-7-ynoate.

Molecular Properties

Compound Nameethyl (E,5R)-5-(methoxymethoxy)-8-trimethylsilyloct-2-en-7-ynoate
PubChem CID11748542
Molecular FormulaC15H26O4Si
Molecular Weight298.46 g/mol
Exact Mass298.16
IUPAC Nameethyl (E,5R)-5-(methoxymethoxy)-8-trimethylsilyloct-2-en-7-ynoate
SMILESCCOC(=O)/C=C/C[C@H](CC#C[Si](C)(C)C)OCOC
InChIInChI=1S/C15H26O4Si/c1-6-18-15(16)11-7-9-14(19-13-17-2)10-8-12-20(3,4)5/h7,11,14H,6,9-10,13H2,1-5H3/b11-7+/t14-/m1/s1
InChIKeyCTFKPGZEDCSYAS-DPQIITEBSA-N
XLogP2.76
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.46
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl (E,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)hept-2-enoate
CID 134842529
ethyl (E,5S)-5-(methoxymethoxy)hept-2-enoate
CID 135039893
ethyl (E,5R)-5-acetyloxy-2-methyl-7-trimethylsilylhept-2-en-6-ynoate
CID 146161886
2-Hexenoic acid, 5-(1-ethoxyethoxy)-, (2-trimethylsilyl)ethyl ester
CID 5366365
[(3S)-1-trimethylsilylhex-5-en-1-yn-3-yl] (E)-but-2-enoate
CID 72711908
ethyl (2E,7R)-7-(2-trimethylsilylethoxymethoxy)nona-2,8-dienoate
CID 57792670
ethyl (Z)-8-trimethylsilyloct-2-en-7-ynoate
CID 59990296
ethyl (2E,5S,6E)-7-iodo-5-(2-trimethylsilylethoxymethoxy)hepta-2,6-dienoate
CID 10693697
ethyl (E)-8-trimethylsilyloct-2-en-7-ynoate
CID 10955631
ethyl (E,5R)-8-trimethylsilyl-5-tri(propan-2-yl)silyloxyoct-2-en-7-ynoate
CID 10960588
ethyl (E)-9-trimethylsilylnon-2-en-8-ynoate
CID 10988784
[(2R,3S,6S)-6-propan-2-yloxy-2-(3-trimethylsilylprop-2-ynyl)-3,6-dihydro-2H-pyran-3-yl] acetate
CID 10990550

Frequently Asked Questions

What is the IUPAC name of ethyl (E,5R)-5-(methoxymethoxy)-8-trimethylsilyloct-2-en-7-ynoate?
The IUPAC name of ethyl (E,5R)-5-(methoxymethoxy)-8-trimethylsilyloct-2-en-7-ynoate (CID 11748542) is ethyl (E,5R)-5-(methoxymethoxy)-8-trimethylsilyloct-2-en-7-ynoate.
What is the SMILES notation for ethyl (E,5R)-5-(methoxymethoxy)-8-trimethylsilyloct-2-en-7-ynoate?
The canonical SMILES for ethyl (E,5R)-5-(methoxymethoxy)-8-trimethylsilyloct-2-en-7-ynoate is CCOC(=O)/C=C/C[C@H](CC#C[Si](C)(C)C)OCOC.
What is the InChIKey of ethyl (E,5R)-5-(methoxymethoxy)-8-trimethylsilyloct-2-en-7-ynoate?
The InChIKey is CTFKPGZEDCSYAS-DPQIITEBSA-N. The full InChI is InChI=1S/C15H26O4Si/c1-6-18-15(16)11-7-9-14(19-13-17-2)10-8-12-20(3,4)5/h7,11,14H,6,9-10,13H2,1-5H3/b11-7+/t14-/m1/s1.
What are the key properties of ethyl (E,5R)-5-(methoxymethoxy)-8-trimethylsilyloct-2-en-7-ynoate?
ethyl (E,5R)-5-(methoxymethoxy)-8-trimethylsilyloct-2-en-7-ynoate has a molecular weight of 298.46 g/mol, XLogP of 2.76, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E,5R)-5-(methoxymethoxy)-8-trimethylsilyloct-2-en-7-ynoate is sourced from PubChem (CID 11748542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).