ethyl (Z,4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-dimethyloxiran-2-yl]-3-methylpent-2-enoate

C25H50O5Si2 — CID 10624814

IUPACethyl (Z,4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-dimethyloxiran-2-yl]-3-methylpent-2-enoate
SMILESCCOC(=O)/C=C(/C)[C@H](C[C@]1(CO[Si](C)(C)C(C)(C)C)OC1(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C25H50O5Si2/c1-15-27-21(26)16-19(2)20(29-32(13,14)23(6,7)8)17-25(24(9,10)30-25)18-28-31(11,12)22(3,4)5/h16,20H,15,17-18H2,1-14H3/b19-16-/t20-,25+/m0/s1
InChIKeyIUDQVABFHNWXQD-VLPSZLFXSA-N
MW486.84 g/mol
LogP6.85
Rot. Bonds10

About ethyl (Z,4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-dimethyloxiran-2-yl]-3-methylpent-2-enoate

ethyl (Z,4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-dimethyloxiran-2-yl]-3-methylpent-2-enoate (PubChem CID 10624814) has the molecular formula C25H50O5Si2 and a molecular weight of 486.84 g/mol. Its IUPAC name is ethyl (Z,4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-dimethyloxiran-2-yl]-3-methylpent-2-enoate.

Molecular Properties

Compound Nameethyl (Z,4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-dimethyloxiran-2-yl]-3-methylpent-2-enoate
PubChem CID10624814
Molecular FormulaC25H50O5Si2
Molecular Weight486.84 g/mol
Exact Mass486.32
IUPAC Nameethyl (Z,4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-dimethyloxiran-2-yl]-3-methylpent-2-enoate
SMILESCCOC(=O)/C=C(/C)[C@H](C[C@]1(CO[Si](C)(C)C(C)(C)C)OC1(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C25H50O5Si2/c1-15-27-21(26)16-19(2)20(29-32(13,14)23(6,7)8)17-25(24(9,10)30-25)18-28-31(11,12)22(3,4)5/h16,20H,15,17-18H2,1-14H3/b19-16-/t20-,25+/m0/s1
InChIKeyIUDQVABFHNWXQD-VLPSZLFXSA-N
XLogP6.85
TPSA57.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.84
LogP ≤ 56.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze ethyl (Z,4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-dimethyloxiran-2-yl]-3-methylpent-2-enoate with MolForge

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Related Compounds

[(2E,6E)-2,6-dimethyl-9-[(2S,3S)-2-methyl-3-[tri(propan-2-yl)silyloxymethyl]oxiran-2-yl]nona-2,6-dienyl] acetate
CID 44248348
[(2E,6E)-9-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxiran-2-yl]-3,7-dimethylnona-2,6-dienyl] acetate
CID 102574037
[(5E,9E)-12-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxiran-2-yl]-6,10-dimethyldodeca-5,9-dien-2-yl] acetate
CID 134834148
[(E)-2-methyl-5-[(2R,3R)-2-methyl-3-[2-[(2S,3S)-2-methyl-3-[tri(propan-2-yl)silyloxymethyl]oxiran-2-yl]ethyl]oxiran-2-yl]pent-2-enyl] acetate
CID 134942520
[(2E,6E)-9-[(2R,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxiran-2-yl]-3,7-dimethylnona-2,6-dienyl] acetate
CID 162414140
methyl (E,4R)-4-[(2R)-2-(2-methylprop-2-enyl)oxiran-2-yl]-4-triethylsilyloxybut-2-enoate
CID 25025432
ethyl (E,4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(2R)-3,3-dimethyl-2-(trimethylsilyloxymethyl)oxiran-2-yl]-3-methylpent-2-enoate
CID 10599438
methyl (E,4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(2R)-3,3-dimethyl-2-(2-trimethylsilylethoxymethoxymethyl)oxiran-2-yl]-3-methylpent-2-enoate
CID 10601089
methyl (2E,6E)-3,7-dimethyl-9-[(2S,3S)-3-methyl-3-(trimethylsilyloxymethyl)oxiran-2-yl]nona-2,6-dienoate
CID 10665855
methyl (2E,6E)-3,7-dimethyl-9-[(2S,3S)-3-methyl-3-(trimethylsilyloxymethyl)oxiran-2-yl]nona-2,6-dienoate
CID 10665855
methyl (E,4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-dimethyloxiran-2-yl]-3-methylpent-2-enoate
CID 10672138
methyl (E,4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-dimethyloxiran-2-yl]-3-methylpent-2-enoate
CID 10672138

Frequently Asked Questions

What is the IUPAC name of ethyl (Z,4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-dimethyloxiran-2-yl]-3-methylpent-2-enoate?
The IUPAC name of ethyl (Z,4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-dimethyloxiran-2-yl]-3-methylpent-2-enoate (CID 10624814) is ethyl (Z,4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-dimethyloxiran-2-yl]-3-methylpent-2-enoate.
What is the SMILES notation for ethyl (Z,4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-dimethyloxiran-2-yl]-3-methylpent-2-enoate?
The canonical SMILES for ethyl (Z,4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-dimethyloxiran-2-yl]-3-methylpent-2-enoate is CCOC(=O)/C=C(/C)[C@H](C[C@]1(CO[Si](C)(C)C(C)(C)C)OC1(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of ethyl (Z,4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-dimethyloxiran-2-yl]-3-methylpent-2-enoate?
The InChIKey is IUDQVABFHNWXQD-VLPSZLFXSA-N. The full InChI is InChI=1S/C25H50O5Si2/c1-15-27-21(26)16-19(2)20(29-32(13,14)23(6,7)8)17-25(24(9,10)30-25)18-28-31(11,12)22(3,4)5/h16,20H,15,17-18H2,1-14H3/b19-16-/t20-,25+/m0/s1.
What are the key properties of ethyl (Z,4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-dimethyloxiran-2-yl]-3-methylpent-2-enoate?
ethyl (Z,4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-dimethyloxiran-2-yl]-3-methylpent-2-enoate has a molecular weight of 486.84 g/mol, XLogP of 6.85, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z,4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-dimethyloxiran-2-yl]-3-methylpent-2-enoate is sourced from PubChem (CID 10624814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).