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

C24H48O5Si2 — CID 10672138

IUPACmethyl (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
SMILESCOC(=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/C24H48O5Si2/c1-18(15-20(25)26-10)19(28-31(13,14)22(5,6)7)16-24(23(8,9)29-24)17-27-30(11,12)21(2,3)4/h15,19H,16-17H2,1-14H3/b18-15+/t19-,24+/m0/s1
InChIKeyRWFWCLVWOQKZQB-YDCMLYCSSA-N
MW472.82 g/mol
LogP6.46
Rot. Bonds9

About 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

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 (PubChem CID 10672138) has the molecular formula C24H48O5Si2 and a molecular weight of 472.82 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Namemethyl (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
PubChem CID10672138
Molecular FormulaC24H48O5Si2
Molecular Weight472.82 g/mol
Exact Mass472.30
IUPAC Namemethyl (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
SMILESCOC(=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/C24H48O5Si2/c1-18(15-20(25)26-10)19(28-31(13,14)22(5,6)7)16-24(23(8,9)29-24)17-27-30(11,12)21(2,3)4/h15,19H,16-17H2,1-14H3/b18-15+/t19-,24+/m0/s1
InChIKeyRWFWCLVWOQKZQB-YDCMLYCSSA-N
XLogP6.46
TPSA57.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.82
LogP ≤ 56.46
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'}

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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 (2Z,6E)-9-[(2S,3S)-3-(hydroxymethyl)-3-methyloxiran-2-yl]-7-methyl-3-(trimethylsilylmethyl)nona-2,6-dienoate
CID 101004449
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
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
methyl (2E,6E)-3,7-dimethyl-9-[(2S,3S)-3-methyl-3-(trimethylsilyloxymethyl)oxiran-2-yl]nona-2,6-dienoate
CID 10665855
ethyl (E,4S)-5-[(2R)-2-(hydroxymethyl)-3,3-dimethyloxiran-2-yl]-4-methoxy-3-(trimethylsilylmethyl)pent-2-enoate
CID 10688839

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COC(=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 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?
The InChIKey is RWFWCLVWOQKZQB-YDCMLYCSSA-N. The full InChI is InChI=1S/C24H48O5Si2/c1-18(15-20(25)26-10)19(28-31(13,14)22(5,6)7)16-24(23(8,9)29-24)17-27-30(11,12)21(2,3)4/h15,19H,16-17H2,1-14H3/b18-15+/t19-,24+/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 472.82 g/mol, XLogP of 6.46, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 10672138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).