diethyl (E)-2-acetyl-3-(2-methyl-1-trimethylsilyloxypropyl)hex-2-enedioate

C19H34O6Si — CID 10045714

IUPACdiethyl (E)-2-acetyl-3-(2-methyl-1-trimethylsilyloxypropyl)hex-2-enedioate
SMILESCCOC(=O)CC/C(=C(/C(C)=O)C(=O)OCC)C(O[Si](C)(C)C)C(C)C
InChIInChI=1S/C19H34O6Si/c1-9-23-16(21)12-11-15(17(14(5)20)19(22)24-10-2)18(13(3)4)25-26(6,7)8/h13,18H,9-12H2,1-8H3/b17-15+
InChIKeyRSCIGFXSTUHBOT-BMRADRMJSA-N
MW386.56 g/mol
LogP3.65
Rot. Bonds11

About diethyl (E)-2-acetyl-3-(2-methyl-1-trimethylsilyloxypropyl)hex-2-enedioate

diethyl (E)-2-acetyl-3-(2-methyl-1-trimethylsilyloxypropyl)hex-2-enedioate (PubChem CID 10045714) has the molecular formula C19H34O6Si and a molecular weight of 386.56 g/mol. Its IUPAC name is diethyl (E)-2-acetyl-3-(2-methyl-1-trimethylsilyloxypropyl)hex-2-enedioate.

Molecular Properties

Compound Namediethyl (E)-2-acetyl-3-(2-methyl-1-trimethylsilyloxypropyl)hex-2-enedioate
PubChem CID10045714
Molecular FormulaC19H34O6Si
Molecular Weight386.56 g/mol
Exact Mass386.21
IUPAC Namediethyl (E)-2-acetyl-3-(2-methyl-1-trimethylsilyloxypropyl)hex-2-enedioate
SMILESCCOC(=O)CC/C(=C(/C(C)=O)C(=O)OCC)C(O[Si](C)(C)C)C(C)C
InChIInChI=1S/C19H34O6Si/c1-9-23-16(21)12-11-15(17(14(5)20)19(22)24-10-2)18(13(3)4)25-26(6,7)8/h13,18H,9-12H2,1-8H3/b17-15+
InChIKeyRSCIGFXSTUHBOT-BMRADRMJSA-N
XLogP3.65
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.56
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Related Compounds

(6S,7R,8S,9R,10R,11E,14R)-6,8-bis[[tert-butyl(dimethyl)silyl]oxy]-14-ethenyl-10-methoxy-7,9,12-trimethyl-1-oxacyclotetradec-11-ene-2,4-dione
CID 11490144
ethyl (3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-5-oxocyclopentene-1-carboxylate
CID 12003363
ethyl (3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-5-oxocyclopentene-1-carboxylate
CID 134839748
ethyl (4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-ethylidene-4-methyl-3-oxohept-6-enoate
CID 135010559
2-Butyl-9-(1-trimethylsilyloxypentyl)-6,13-dioxatricyclo[9.3.0.04,8]tetradeca-1(11),4(8)-diene-5,7,12,14-tetrone
CID 53707397
ethyl 3-[(3S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-propan-2-ylcyclohexen-1-yl]-3-oxopropanoate
CID 140798041
methyl 2-[(1R,3R)-3,7-dimethyl-1-trimethylsilyloxyoct-6-enyl]-5-oxocyclopentene-1-carboxylate
CID 9999009
methyl 2-[(Z,1R,3R)-6-methoxy-4-methyl-6-oxo-3-propan-2-yl-1-trimethylsilyloxyhex-4-enyl]-5-oxocyclopentene-1-carboxylate
CID 10024567
methyl 2-[(Z,1R,3S)-6-methoxy-4-methyl-6-oxo-3-propan-2-yl-1-trimethylsilyloxyhex-4-enyl]-5-oxocyclopentene-1-carboxylate
CID 10070169
methyl 2-[(1R,3S)-3-methyl-1-trimethylsilyloxyhex-5-enyl]-5-oxocyclopentene-1-carboxylate
CID 10314201
methyl 2-[(1R,3R)-3-methyl-1-trimethylsilyloxyhex-5-enyl]-5-oxocyclopentene-1-carboxylate
CID 10980273
tert-butyl (Z)-10-acetyloxy-5-[tert-butyl(dimethyl)silyl]oxy-8-methyl-3-oxodec-8-enoate
CID 11328198

Frequently Asked Questions

What is the IUPAC name of diethyl (E)-2-acetyl-3-(2-methyl-1-trimethylsilyloxypropyl)hex-2-enedioate?
The IUPAC name of diethyl (E)-2-acetyl-3-(2-methyl-1-trimethylsilyloxypropyl)hex-2-enedioate (CID 10045714) is diethyl (E)-2-acetyl-3-(2-methyl-1-trimethylsilyloxypropyl)hex-2-enedioate.
What is the SMILES notation for diethyl (E)-2-acetyl-3-(2-methyl-1-trimethylsilyloxypropyl)hex-2-enedioate?
The canonical SMILES for diethyl (E)-2-acetyl-3-(2-methyl-1-trimethylsilyloxypropyl)hex-2-enedioate is CCOC(=O)CC/C(=C(/C(C)=O)C(=O)OCC)C(O[Si](C)(C)C)C(C)C.
What is the InChIKey of diethyl (E)-2-acetyl-3-(2-methyl-1-trimethylsilyloxypropyl)hex-2-enedioate?
The InChIKey is RSCIGFXSTUHBOT-BMRADRMJSA-N. The full InChI is InChI=1S/C19H34O6Si/c1-9-23-16(21)12-11-15(17(14(5)20)19(22)24-10-2)18(13(3)4)25-26(6,7)8/h13,18H,9-12H2,1-8H3/b17-15+.
What are the key properties of diethyl (E)-2-acetyl-3-(2-methyl-1-trimethylsilyloxypropyl)hex-2-enedioate?
diethyl (E)-2-acetyl-3-(2-methyl-1-trimethylsilyloxypropyl)hex-2-enedioate has a molecular weight of 386.56 g/mol, XLogP of 3.65, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl (E)-2-acetyl-3-(2-methyl-1-trimethylsilyloxypropyl)hex-2-enedioate is sourced from PubChem (CID 10045714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).