methyl (E,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-phenylmethoxyhex-2-enoate

C20H32O4Si — CID 25128686

IUPACmethyl (E,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-phenylmethoxyhex-2-enoate
SMILESCOC(=O)/C=C/[C@@H](OCc1ccccc1)[C@@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H32O4Si/c1-16(24-25(6,7)20(2,3)4)18(13-14-19(21)22-5)23-15-17-11-9-8-10-12-17/h8-14,16,18H,15H2,1-7H3/b14-13+/t16-,18-/m1/s1
InChIKeyJQLJQWVZCJUNKF-KVOGJJTBSA-N
MW364.56 g/mol
LogP4.71
Rot. Bonds8

About methyl (E,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-phenylmethoxyhex-2-enoate

methyl (E,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-phenylmethoxyhex-2-enoate (PubChem CID 25128686) has the molecular formula C20H32O4Si and a molecular weight of 364.56 g/mol. Its IUPAC name is methyl (E,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-phenylmethoxyhex-2-enoate.

Molecular Properties

Compound Namemethyl (E,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-phenylmethoxyhex-2-enoate
PubChem CID25128686
Molecular FormulaC20H32O4Si
Molecular Weight364.56 g/mol
Exact Mass364.21
IUPAC Namemethyl (E,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-phenylmethoxyhex-2-enoate
SMILESCOC(=O)/C=C/[C@@H](OCc1ccccc1)[C@@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H32O4Si/c1-16(24-25(6,7)20(2,3)4)18(13-14-19(21)22-5)23-15-17-11-9-8-10-12-17/h8-14,16,18H,15H2,1-7H3/b14-13+/t16-,18-/m1/s1
InChIKeyJQLJQWVZCJUNKF-KVOGJJTBSA-N
XLogP4.71
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.56
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

methyl (2Z,4S,5S,6E,8S,9S)-5,8,9-tris[[tert-butyl(dimethyl)silyl]oxy]-4-phenylmethoxydeca-2,6-dienoate
CID 66572585
[(2S)-4-methoxy-4-oxobutan-2-yl] (E,4R,5S)-5-[(E,4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-phenylmethoxyhex-2-enoyl]oxy-4-phenylmethoxyhex-2-enoate
CID 11093606
methyl (E,4R,5S)-7-[tert-butyl(dimethyl)silyl]oxy-5-methyl-4-phenylmethoxyhept-2-enoate
CID 71547180
tert-butyl-dimethyl-[(2S,3R)-3-phenylmethoxypent-4-en-2-yl]oxysilane
CID 73333549
tert-butyl-dimethyl-[(2S,3S)-3-phenylmethoxypent-4-en-2-yl]oxysilane
CID 73333550
methyl (Z,4R)-4-phenylmethoxypent-2-enoate
CID 10082195
methyl (E,4R,5S)-4-hydroxy-5-phenylmethoxyhex-2-enoate
CID 102198306
tert-butyl-dimethyl-[(3S,4S)-4-phenylmethoxypent-1-en-3-yl]oxysilane
CID 138976638
methyl (E,4S,5S)-6-[tert-butyl(diphenyl)silyl]oxy-4-phenylmethoxy-5-(phenylmethoxycarbonylamino)hex-2-enoate
CID 11787017
2,2,2-trifluoroethyl (E,4R,5R)-5-[(E,4R,5R)-5-[(3S)-3-[tert-butyl(dimethyl)silyl]oxybutanoyl]oxy-6,6,6-trifluoro-4-phenylmethoxyhex-2-enoyl]oxy-6,6,6-trifluoro-4-phenylmethoxyhex-2-enoate
CID 101448315
methyl (Z,4S,5S,6R)-4,5,6-tris(phenylmethoxy)-7,7-bis(propylsulfanyl)hept-2-enoate
CID 101131344
(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-phenylmethoxypentanal
CID 102255365

Frequently Asked Questions

What is the IUPAC name of methyl (E,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-phenylmethoxyhex-2-enoate?
The IUPAC name of methyl (E,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-phenylmethoxyhex-2-enoate (CID 25128686) is methyl (E,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-phenylmethoxyhex-2-enoate.
What is the SMILES notation for methyl (E,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-phenylmethoxyhex-2-enoate?
The canonical SMILES for methyl (E,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-phenylmethoxyhex-2-enoate is COC(=O)/C=C/[C@@H](OCc1ccccc1)[C@@H](C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl (E,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-phenylmethoxyhex-2-enoate?
The InChIKey is JQLJQWVZCJUNKF-KVOGJJTBSA-N. The full InChI is InChI=1S/C20H32O4Si/c1-16(24-25(6,7)20(2,3)4)18(13-14-19(21)22-5)23-15-17-11-9-8-10-12-17/h8-14,16,18H,15H2,1-7H3/b14-13+/t16-,18-/m1/s1.
What are the key properties of methyl (E,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-phenylmethoxyhex-2-enoate?
methyl (E,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-phenylmethoxyhex-2-enoate has a molecular weight of 364.56 g/mol, XLogP of 4.71, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-phenylmethoxyhex-2-enoate is sourced from PubChem (CID 25128686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).