4-[(2R,4S,5E)-5-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-2-methoxyoxan-4-yl]butan-2-one

C18H34O4Si — CID 10688693

IUPAC4-[(2R,4S,5E)-5-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-2-methoxyoxan-4-yl]butan-2-one
SMILESCO[C@H]1C[C@H](CCC(C)=O)/C(=C\CO[Si](C)(C)C(C)(C)C)CO1
InChIInChI=1S/C18H34O4Si/c1-14(19)8-9-15-12-17(20-5)21-13-16(15)10-11-22-23(6,7)18(2,3)4/h10,15,17H,8-9,11-13H2,1-7H3/b16-10-/t15-,17+/m0/s1
InChIKeyMCVFFIJNXUWEOL-MFPZVIQNSA-N
MW342.55 g/mol
LogP4.31
Rot. Bonds7

About 4-[(2R,4S,5E)-5-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-2-methoxyoxan-4-yl]butan-2-one

4-[(2R,4S,5E)-5-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-2-methoxyoxan-4-yl]butan-2-one (PubChem CID 10688693) has the molecular formula C18H34O4Si and a molecular weight of 342.55 g/mol. Its IUPAC name is 4-[(2R,4S,5E)-5-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-2-methoxyoxan-4-yl]butan-2-one.

Molecular Properties

Compound Name4-[(2R,4S,5E)-5-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-2-methoxyoxan-4-yl]butan-2-one
PubChem CID10688693
Molecular FormulaC18H34O4Si
Molecular Weight342.55 g/mol
Exact Mass342.22
IUPAC Name4-[(2R,4S,5E)-5-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-2-methoxyoxan-4-yl]butan-2-one
SMILESCO[C@H]1C[C@H](CCC(C)=O)/C(=C\CO[Si](C)(C)C(C)(C)C)CO1
InChIInChI=1S/C18H34O4Si/c1-14(19)8-9-15-12-17(20-5)21-13-16(15)10-11-22-23(6,7)18(2,3)4/h10,15,17H,8-9,11-13H2,1-7H3/b16-10-/t15-,17+/m0/s1
InChIKeyMCVFFIJNXUWEOL-MFPZVIQNSA-N
XLogP4.31
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.55
LogP ≤ 54.31
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'}

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Related Compounds

(2E)-3,7,11-trimethyl-1-(oxan-2-yloxy)dodeca-2,10-dien-5-one
CID 15765002
(Z,2S,3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-8-(oxan-2-yloxy)oct-6-enal
CID 24756262
(12E,16E)-9-[tert-butyl(dimethyl)silyl]oxy-12,16-dimethyl-18-(oxan-2-yloxy)octadeca-12,16-dien-7-yn-6-one
CID 15726393
ethyl 7-[(3R)-5-[tert-butyl(dimethyl)silyl]oxy-3-(oxan-2-yloxy)cyclopenten-1-yl]heptanoate
CID 70435737
(6E,10E,12S,13R)-13-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-12,15-bis(methoxymethoxy)-6,10-dimethylpentadeca-6,10-dien-2-one
CID 10007147
methyl (E)-4-(2-ethoxy-2-trimethylsilyloxyethenylidene)-7-methyl-10-(oxan-2-yloxy)dec-8-enoate
CID 10456660
[(2E)-2-[(4S,6R)-6-methoxy-4-(3-oxobutyl)oxan-3-ylidene]ethyl] acetate
CID 10516187
(2E,7S)-3,7,11-trimethyl-1-(oxan-2-yloxy)dodeca-2,10-dien-5-one
CID 11120843
methyl (E)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-6-methyl-8-(oxan-2-yloxy)-3-oxooct-6-enoate
CID 11134255
(1Z)-1-[(2S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyl-2-[(1E,4E)-4-methyl-6-(oxan-2-yloxy)hexa-1,4-dienyl]cyclopentylidene]heptan-2-one
CID 21768138
(E,2S,3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-8-(oxan-2-yloxy)oct-6-enal
CID 102299685
(6E,10E,12S,13S)-13-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-12,15-bis(methoxymethoxy)-6,10-dimethylpentadeca-6,10-dien-2-one
CID 135678176

Frequently Asked Questions

What is the IUPAC name of 4-[(2R,4S,5E)-5-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-2-methoxyoxan-4-yl]butan-2-one?
The IUPAC name of 4-[(2R,4S,5E)-5-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-2-methoxyoxan-4-yl]butan-2-one (CID 10688693) is 4-[(2R,4S,5E)-5-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-2-methoxyoxan-4-yl]butan-2-one.
What is the SMILES notation for 4-[(2R,4S,5E)-5-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-2-methoxyoxan-4-yl]butan-2-one?
The canonical SMILES for 4-[(2R,4S,5E)-5-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-2-methoxyoxan-4-yl]butan-2-one is CO[C@H]1C[C@H](CCC(C)=O)/C(=C\CO[Si](C)(C)C(C)(C)C)CO1.
What is the InChIKey of 4-[(2R,4S,5E)-5-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-2-methoxyoxan-4-yl]butan-2-one?
The InChIKey is MCVFFIJNXUWEOL-MFPZVIQNSA-N. The full InChI is InChI=1S/C18H34O4Si/c1-14(19)8-9-15-12-17(20-5)21-13-16(15)10-11-22-23(6,7)18(2,3)4/h10,15,17H,8-9,11-13H2,1-7H3/b16-10-/t15-,17+/m0/s1.
What are the key properties of 4-[(2R,4S,5E)-5-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-2-methoxyoxan-4-yl]butan-2-one?
4-[(2R,4S,5E)-5-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-2-methoxyoxan-4-yl]butan-2-one has a molecular weight of 342.55 g/mol, XLogP of 4.31, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R,4S,5E)-5-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-2-methoxyoxan-4-yl]butan-2-one is sourced from PubChem (CID 10688693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).