(E,2S)-2-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethoxyhex-4-en-3-one

C14H28O4Si — CID 102368689

IUPAC(E,2S)-2-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethoxyhex-4-en-3-one
SMILESCOC(/C=C/C(=O)[C@H](C)O[Si](C)(C)C(C)(C)C)OC
InChIInChI=1S/C14H28O4Si/c1-11(18-19(7,8)14(2,3)4)12(15)9-10-13(16-5)17-6/h9-11,13H,1-8H3/b10-9+/t11-/m0/s1
InChIKeyZVGOAHCQTRKWMM-USKTWTLRSA-N
MW288.46 g/mol
LogP3.14
Rot. Bonds7

About (E,2S)-2-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethoxyhex-4-en-3-one

(E,2S)-2-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethoxyhex-4-en-3-one (PubChem CID 102368689) has the molecular formula C14H28O4Si and a molecular weight of 288.46 g/mol. Its IUPAC name is (E,2S)-2-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethoxyhex-4-en-3-one.

Molecular Properties

Compound Name(E,2S)-2-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethoxyhex-4-en-3-one
PubChem CID102368689
Molecular FormulaC14H28O4Si
Molecular Weight288.46 g/mol
Exact Mass288.18
IUPAC Name(E,2S)-2-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethoxyhex-4-en-3-one
SMILESCOC(/C=C/C(=O)[C@H](C)O[Si](C)(C)C(C)(C)C)OC
InChIInChI=1S/C14H28O4Si/c1-11(18-19(7,8)14(2,3)4)12(15)9-10-13(16-5)17-6/h9-11,13H,1-8H3/b10-9+/t11-/m0/s1
InChIKeyZVGOAHCQTRKWMM-USKTWTLRSA-N
XLogP3.14
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

6-(tert-butyldimethylsilyloxy)-2H-pyran-3(6H)-one
CID 70981364
2-[tert-butyl(dimethyl)silyl]oxy-6-ethyl-2H-pyran-5-one
CID 134936219
(2R,6R)-2-[tert-butyl(dimethyl)silyl]oxy-6-methyl-2H-pyran-5-one
CID 164674456
5-[Tert-butyl(dimethyl)silyl]oxy-2-(dimethoxymethyl)pyran-4-one
CID 87650587
4-O-[3,6-dioxohept-4-en-2-yloxy(dimethyl)silyl] 1-O-methyl but-2-enedioate
CID 123887213
(2E,4R,6E,8S,9S,10E)-8,9,12-tris[[tert-butyl(dimethyl)silyl]oxy]-4-(methoxymethoxy)dodeca-2,6,10-trien-5-one
CID 10258455
(2E,4S,6E,8S,9S,10E)-8,9,12-tris[[tert-butyl(dimethyl)silyl]oxy]-4-(methoxymethoxy)dodeca-2,6,10-trien-5-one
CID 10394224
(2S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-propan-2-yloxy-2H-pyran-5-one
CID 11077456
(3R,5E)-7-[tert-butyl(dimethyl)silyl]oxy-3-(2-methoxyethoxymethoxy)hepta-1,5-dien-4-one
CID 11405218
(2S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-ethoxy-2H-pyran-5-one
CID 13614240
(4E,6R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-6-(methoxymethoxy)nona-1,4,8-trien-3-one
CID 49782070
(2S)-2-[tert-butyl(dimethyl)silyl]oxy-2H-pyran-5-one
CID 101098886

Frequently Asked Questions

What is the IUPAC name of (E,2S)-2-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethoxyhex-4-en-3-one?
The IUPAC name of (E,2S)-2-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethoxyhex-4-en-3-one (CID 102368689) is (E,2S)-2-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethoxyhex-4-en-3-one.
What is the SMILES notation for (E,2S)-2-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethoxyhex-4-en-3-one?
The canonical SMILES for (E,2S)-2-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethoxyhex-4-en-3-one is COC(/C=C/C(=O)[C@H](C)O[Si](C)(C)C(C)(C)C)OC.
What is the InChIKey of (E,2S)-2-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethoxyhex-4-en-3-one?
The InChIKey is ZVGOAHCQTRKWMM-USKTWTLRSA-N. The full InChI is InChI=1S/C14H28O4Si/c1-11(18-19(7,8)14(2,3)4)12(15)9-10-13(16-5)17-6/h9-11,13H,1-8H3/b10-9+/t11-/m0/s1.
What are the key properties of (E,2S)-2-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethoxyhex-4-en-3-one?
(E,2S)-2-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethoxyhex-4-en-3-one has a molecular weight of 288.46 g/mol, XLogP of 3.14, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2S)-2-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethoxyhex-4-en-3-one is sourced from PubChem (CID 102368689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).