ethyl (E,6R)-6-[tert-butyl(dimethyl)silyl]oxy-7-oxooct-2-enoate

C16H30O4Si — CID 11278469

IUPACethyl (E,6R)-6-[tert-butyl(dimethyl)silyl]oxy-7-oxooct-2-enoate
SMILESCCOC(=O)/C=C/CC[C@@H](O[Si](C)(C)C(C)(C)C)C(C)=O
InChIInChI=1S/C16H30O4Si/c1-8-19-15(18)12-10-9-11-14(13(2)17)20-21(6,7)16(3,4)5/h10,12,14H,8-9,11H2,1-7H3/b12-10+/t14-/m1/s1
InChIKeyOXLCNOBVGIWADG-IEZBTEQYSA-N
MW314.50 g/mol
LogP3.87
Rot. Bonds8

About ethyl (E,6R)-6-[tert-butyl(dimethyl)silyl]oxy-7-oxooct-2-enoate

ethyl (E,6R)-6-[tert-butyl(dimethyl)silyl]oxy-7-oxooct-2-enoate (PubChem CID 11278469) has the molecular formula C16H30O4Si and a molecular weight of 314.50 g/mol. Its IUPAC name is ethyl (E,6R)-6-[tert-butyl(dimethyl)silyl]oxy-7-oxooct-2-enoate.

Molecular Properties

Compound Nameethyl (E,6R)-6-[tert-butyl(dimethyl)silyl]oxy-7-oxooct-2-enoate
PubChem CID11278469
Molecular FormulaC16H30O4Si
Molecular Weight314.50 g/mol
Exact Mass314.19
IUPAC Nameethyl (E,6R)-6-[tert-butyl(dimethyl)silyl]oxy-7-oxooct-2-enoate
SMILESCCOC(=O)/C=C/CC[C@@H](O[Si](C)(C)C(C)(C)C)C(C)=O
InChIInChI=1S/C16H30O4Si/c1-8-19-15(18)12-10-9-11-14(13(2)17)20-21(6,7)16(3,4)5/h10,12,14H,8-9,11H2,1-7H3/b12-10+/t14-/m1/s1
InChIKeyOXLCNOBVGIWADG-IEZBTEQYSA-N
XLogP3.87
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.50
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

ethyl (E,5R)-5-[tert-butyl(dimethyl)silyl]oxyoct-2-enoate
CID 23642892
(3Z,6S,12R)-6-[tert-butyl(dimethyl)silyl]oxy-12-methyl-1-oxacyclododec-3-ene-2,5-dione
CID 25241763
(3Z,6R,12S)-6-[tert-butyl(dimethyl)silyl]oxy-12-methyl-1-oxacyclododec-3-ene-2,5-dione
CID 71514833
ethyl (2Z,4E,7S)-7-[tert-butyl(dimethyl)silyl]oxy-8-oxoocta-2,4-dienoate
CID 101375474
(S,e)-ethyl 6-(t-butyldimethylsilyloxy)hept-2-enoate
CID 129843282
(3Z,6R,12R)-6-[tert-butyl(dimethyl)silyl]oxy-12-methyl-1-oxacyclododec-3-ene-2,5-dione
CID 134831771
(3E,6R,12R)-6-[tert-butyl(dimethyl)silyl]oxy-12-methyl-1-oxacyclododec-3-ene-2,5-dione
CID 134831772
(3E,6S,12R)-6-[tert-butyl(dimethyl)silyl]oxy-12-methyl-1-oxacyclododec-3-ene-2,5-dione
CID 134831896
diethyl (2Z,9Z)-6-[tert-butyl(dimethyl)silyl]oxyundeca-2,9-dienedioate
CID 135073113
[(3S,4E,7S,8R,9E,12R)-12-[(Z)-but-2-en-2-yl]-8-[tert-butyl(dimethyl)silyl]oxy-3,9-dimethyl-2,6-dioxo-1-oxacyclododeca-4,9-dien-7-yl] 3-methylbutanoate
CID 138975804
(4-Oxocyclopent-2-en-1-yl) 2-trimethylsilyloxyprop-2-enoate
CID 139257712
(2R,6Z,8S)-8-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3,4,8,9-tetrahydro-2H-oxecine-5,10-dione
CID 139261292

Frequently Asked Questions

What is the IUPAC name of ethyl (E,6R)-6-[tert-butyl(dimethyl)silyl]oxy-7-oxooct-2-enoate?
The IUPAC name of ethyl (E,6R)-6-[tert-butyl(dimethyl)silyl]oxy-7-oxooct-2-enoate (CID 11278469) is ethyl (E,6R)-6-[tert-butyl(dimethyl)silyl]oxy-7-oxooct-2-enoate.
What is the SMILES notation for ethyl (E,6R)-6-[tert-butyl(dimethyl)silyl]oxy-7-oxooct-2-enoate?
The canonical SMILES for ethyl (E,6R)-6-[tert-butyl(dimethyl)silyl]oxy-7-oxooct-2-enoate is CCOC(=O)/C=C/CC[C@@H](O[Si](C)(C)C(C)(C)C)C(C)=O.
What is the InChIKey of ethyl (E,6R)-6-[tert-butyl(dimethyl)silyl]oxy-7-oxooct-2-enoate?
The InChIKey is OXLCNOBVGIWADG-IEZBTEQYSA-N. The full InChI is InChI=1S/C16H30O4Si/c1-8-19-15(18)12-10-9-11-14(13(2)17)20-21(6,7)16(3,4)5/h10,12,14H,8-9,11H2,1-7H3/b12-10+/t14-/m1/s1.
What are the key properties of ethyl (E,6R)-6-[tert-butyl(dimethyl)silyl]oxy-7-oxooct-2-enoate?
ethyl (E,6R)-6-[tert-butyl(dimethyl)silyl]oxy-7-oxooct-2-enoate has a molecular weight of 314.50 g/mol, XLogP of 3.87, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E,6R)-6-[tert-butyl(dimethyl)silyl]oxy-7-oxooct-2-enoate is sourced from PubChem (CID 11278469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).