[(E)-5-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxiran-2-yl]-3-methylpent-2-enyl] acetate

C18H34O4Si — CID 102574029

IUPAC[(E)-5-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxiran-2-yl]-3-methylpent-2-enyl] acetate
SMILESCC(=O)OC/C=C(\C)CCC1OC1(C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H34O4Si/c1-14(11-12-20-15(2)19)9-10-16-18(6,22-16)13-21-23(7,8)17(3,4)5/h11,16H,9-10,12-13H2,1-8H3/b14-11+
InChIKeyWNJPJQIWUSOZDY-SDNWHVSQSA-N
MW342.55 g/mol
LogP4.46
Rot. Bonds8

About [(E)-5-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxiran-2-yl]-3-methylpent-2-enyl] acetate

[(E)-5-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxiran-2-yl]-3-methylpent-2-enyl] acetate (PubChem CID 102574029) has the molecular formula C18H34O4Si and a molecular weight of 342.55 g/mol. Its IUPAC name is [(E)-5-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxiran-2-yl]-3-methylpent-2-enyl] acetate.

Molecular Properties

Compound Name[(E)-5-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxiran-2-yl]-3-methylpent-2-enyl] acetate
PubChem CID102574029
Molecular FormulaC18H34O4Si
Molecular Weight342.55 g/mol
Exact Mass342.22
IUPAC Name[(E)-5-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxiran-2-yl]-3-methylpent-2-enyl] acetate
SMILESCC(=O)OC/C=C(\C)CCC1OC1(C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H34O4Si/c1-14(11-12-20-15(2)19)9-10-16-18(6,22-16)13-21-23(7,8)17(3,4)5/h11,16H,9-10,12-13H2,1-8H3/b14-11+
InChIKeyWNJPJQIWUSOZDY-SDNWHVSQSA-N
XLogP4.46
TPSA48.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.55
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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
tert-butyl-dimethyl-[[2-methyl-3-[(E)-3-methylpent-3-enyl]oxiran-2-yl]methoxy]silane
CID 134857523
[(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
tert-butyl [(2S,3S)-3-[(3E,7E)-9-[tert-butyl(dimethyl)silyl]oxy-3,8-dimethylnona-3,7-dienyl]-2-methyloxiran-2-yl]methyl carbonate
CID 135024075
[(2E,6E)-9-[(2R,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxiran-2-yl]-3,7-dimethylnona-2,6-dienyl] acetate
CID 162414140
(1S,2E,6R,15S,16S)-15-[tert-butyl(dimethyl)silyl]oxy-6-methyl-5,17-dioxabicyclo[14.1.0]heptadec-2-en-4-one
CID 21608910
[(2E,6E,10E)-13-[(2S)-3,3-dimethyloxiran-2-yl]-3,11-dimethyl-7-(trimethylsilylmethyl)trideca-2,6,10-trienyl] acetate
CID 10025161
[(2E,6Z,10E)-13-(3,3-dimethyloxiran-2-yl)-3,11-dimethyl-7-(trimethylsilylmethyl)trideca-2,6,10-trienyl] acetate
CID 10387441
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
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

Frequently Asked Questions

What is the IUPAC name of [(E)-5-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxiran-2-yl]-3-methylpent-2-enyl] acetate?
The IUPAC name of [(E)-5-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxiran-2-yl]-3-methylpent-2-enyl] acetate (CID 102574029) is [(E)-5-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxiran-2-yl]-3-methylpent-2-enyl] acetate.
What is the SMILES notation for [(E)-5-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxiran-2-yl]-3-methylpent-2-enyl] acetate?
The canonical SMILES for [(E)-5-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxiran-2-yl]-3-methylpent-2-enyl] acetate is CC(=O)OC/C=C(\C)CCC1OC1(C)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(E)-5-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxiran-2-yl]-3-methylpent-2-enyl] acetate?
The InChIKey is WNJPJQIWUSOZDY-SDNWHVSQSA-N. The full InChI is InChI=1S/C18H34O4Si/c1-14(11-12-20-15(2)19)9-10-16-18(6,22-16)13-21-23(7,8)17(3,4)5/h11,16H,9-10,12-13H2,1-8H3/b14-11+.
What are the key properties of [(E)-5-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxiran-2-yl]-3-methylpent-2-enyl] acetate?
[(E)-5-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxiran-2-yl]-3-methylpent-2-enyl] acetate has a molecular weight of 342.55 g/mol, XLogP of 4.46, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-5-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxiran-2-yl]-3-methylpent-2-enyl] acetate is sourced from PubChem (CID 102574029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).