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

C28H58O5Si3 — CID 10769188

IUPACethyl (Z,4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-dimethyloxiran-2-yl]-3-(trimethylsilylmethyl)pent-2-enoate
SMILESCCOC(=O)/C=C(\C[Si](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/C28H58O5Si3/c1-17-30-24(29)18-22(20-34(10,11)12)23(32-36(15,16)26(5,6)7)19-28(27(8,9)33-28)21-31-35(13,14)25(2,3)4/h18,23H,17,19-21H2,1-16H3/b22-18+/t23-,28+/m0/s1
InChIKeyQPTIRAYHVXTJPI-COMANROMSA-N
MW559.03 g/mol
LogP8.16
Rot. Bonds12

About ethyl (Z,4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-dimethyloxiran-2-yl]-3-(trimethylsilylmethyl)pent-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-(trimethylsilylmethyl)pent-2-enoate (PubChem CID 10769188) has the molecular formula C28H58O5Si3 and a molecular weight of 559.03 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-(trimethylsilylmethyl)pent-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-(trimethylsilylmethyl)pent-2-enoate
PubChem CID10769188
Molecular FormulaC28H58O5Si3
Molecular Weight559.03 g/mol
Exact Mass558.36
IUPAC Nameethyl (Z,4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-dimethyloxiran-2-yl]-3-(trimethylsilylmethyl)pent-2-enoate
SMILESCCOC(=O)/C=C(\C[Si](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/C28H58O5Si3/c1-17-30-24(29)18-22(20-34(10,11)12)23(32-36(15,16)26(5,6)7)19-28(27(8,9)33-28)21-31-35(13,14)25(2,3)4/h18,23H,17,19-21H2,1-16H3/b22-18+/t23-,28+/m0/s1
InChIKeyQPTIRAYHVXTJPI-COMANROMSA-N
XLogP8.16
TPSA57.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500559.03
LogP ≤ 58.16
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-(trimethylsilylmethyl)pent-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 (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
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-(trimethylsilylmethyl)pent-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-(trimethylsilylmethyl)pent-2-enoate (CID 10769188) is ethyl (Z,4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-dimethyloxiran-2-yl]-3-(trimethylsilylmethyl)pent-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-(trimethylsilylmethyl)pent-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-(trimethylsilylmethyl)pent-2-enoate is CCOC(=O)/C=C(\C[Si](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-(trimethylsilylmethyl)pent-2-enoate?
The InChIKey is QPTIRAYHVXTJPI-COMANROMSA-N. The full InChI is InChI=1S/C28H58O5Si3/c1-17-30-24(29)18-22(20-34(10,11)12)23(32-36(15,16)26(5,6)7)19-28(27(8,9)33-28)21-31-35(13,14)25(2,3)4/h18,23H,17,19-21H2,1-16H3/b22-18+/t23-,28+/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-(trimethylsilylmethyl)pent-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-(trimethylsilylmethyl)pent-2-enoate has a molecular weight of 559.03 g/mol, XLogP of 8.16, 12 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-(trimethylsilylmethyl)pent-2-enoate is sourced from PubChem (CID 10769188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).