ethyl (E,4R,5R)-6-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-4-methoxyhex-2-enoate

C15H30O5Si — CID 135024557

IUPACethyl (E,4R,5R)-6-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-4-methoxyhex-2-enoate
SMILESCCOC(=O)/C=C/[C@@H](OC)[C@H](O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H30O5Si/c1-8-19-14(17)10-9-13(18-5)12(16)11-20-21(6,7)15(2,3)4/h9-10,12-13,16H,8,11H2,1-7H3/b10-9+/t12-,13-/m1/s1
InChIKeyLDQRFMAOUIHXGU-WGVUZWOWSA-N
MW318.49 g/mol
LogP2.50
Rot. Bonds8

About ethyl (E,4R,5R)-6-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-4-methoxyhex-2-enoate

ethyl (E,4R,5R)-6-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-4-methoxyhex-2-enoate (PubChem CID 135024557) has the molecular formula C15H30O5Si and a molecular weight of 318.49 g/mol. Its IUPAC name is ethyl (E,4R,5R)-6-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-4-methoxyhex-2-enoate.

Molecular Properties

Compound Nameethyl (E,4R,5R)-6-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-4-methoxyhex-2-enoate
PubChem CID135024557
Molecular FormulaC15H30O5Si
Molecular Weight318.49 g/mol
Exact Mass318.19
IUPAC Nameethyl (E,4R,5R)-6-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-4-methoxyhex-2-enoate
SMILESCCOC(=O)/C=C/[C@@H](OC)[C@H](O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H30O5Si/c1-8-19-14(17)10-9-13(18-5)12(16)11-20-21(6,7)15(2,3)4/h9-10,12-13,16H,8,11H2,1-7H3/b10-9+/t12-,13-/m1/s1
InChIKeyLDQRFMAOUIHXGU-WGVUZWOWSA-N
XLogP2.50
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.49
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

Musacin A
CID 10586494
2,3-Dihydroxypropyl 4,5-dihydroxyocta-2,6-dienoate
CID 85195906
[(2S)-2,3-dihydroxypropyl] (2E,4S,5R,6E)-4,5-dihydroxyocta-2,6-dienoate
CID 163024462
[(2R)-2,3-dihydroxypropyl] (2E,4S,5S,6E)-4,5-dihydroxyocta-2,6-dienoate
CID 163024463
(4S,8-diacetyloxy-2,6-octadiene
CID 5468986
Ethyl-(4S,6-octadienoate
CID 5468988
Methyl (2E)(4S)-6-hydroxy-5,5-dimethyl-4-(1,1,2,2-tetramethyl-1-silapropoxy)hex-2-enoate
CID 10935552
Ethyl (4R*,5R*)-(E)-4-hydroxy-5-(tert-butyldimethylsilyl)oxy-2-hexenoate
CID 11493008
(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dihydropyran-6-one
CID 10220446
(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-2,3-dihydropyran-6-one
CID 10955748
ethyl (E,5S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-6-methylhept-2-enoate
CID 11141640
ethyl (E,4R,5R)-7-[tert-butyl(dimethyl)silyl]oxy-4,5-dihydroxyhept-2-enoate
CID 11290125

Frequently Asked Questions

What is the IUPAC name of ethyl (E,4R,5R)-6-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-4-methoxyhex-2-enoate?
The IUPAC name of ethyl (E,4R,5R)-6-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-4-methoxyhex-2-enoate (CID 135024557) is ethyl (E,4R,5R)-6-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-4-methoxyhex-2-enoate.
What is the SMILES notation for ethyl (E,4R,5R)-6-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-4-methoxyhex-2-enoate?
The canonical SMILES for ethyl (E,4R,5R)-6-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-4-methoxyhex-2-enoate is CCOC(=O)/C=C/[C@@H](OC)[C@H](O)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of ethyl (E,4R,5R)-6-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-4-methoxyhex-2-enoate?
The InChIKey is LDQRFMAOUIHXGU-WGVUZWOWSA-N. The full InChI is InChI=1S/C15H30O5Si/c1-8-19-14(17)10-9-13(18-5)12(16)11-20-21(6,7)15(2,3)4/h9-10,12-13,16H,8,11H2,1-7H3/b10-9+/t12-,13-/m1/s1.
What are the key properties of ethyl (E,4R,5R)-6-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-4-methoxyhex-2-enoate?
ethyl (E,4R,5R)-6-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-4-methoxyhex-2-enoate has a molecular weight of 318.49 g/mol, XLogP of 2.50, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E,4R,5R)-6-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-4-methoxyhex-2-enoate is sourced from PubChem (CID 135024557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).