3-[dimethoxy(methyl)silyl]propyl 5-methyl-4-oxohexa-2,5-dienoate

C13H22O5Si — CID 151098780

IUPAC3-[dimethoxy(methyl)silyl]propyl 5-methyl-4-oxohexa-2,5-dienoate
SMILESC=C(C)C(=O)C=CC(=O)OCCC[Si](C)(OC)OC
InChIInChI=1S/C13H22O5Si/c1-11(2)12(14)7-8-13(15)18-9-6-10-19(5,16-3)17-4/h7-8H,1,6,9-10H2,2-5H3
InChIKeyMNRFKOVQMYLXEX-UHFFFAOYSA-N
MW286.40 g/mol
LogP1.99
Rot. Bonds9

About 3-[dimethoxy(methyl)silyl]propyl 5-methyl-4-oxohexa-2,5-dienoate

3-[dimethoxy(methyl)silyl]propyl 5-methyl-4-oxohexa-2,5-dienoate (PubChem CID 151098780) has the molecular formula C13H22O5Si and a molecular weight of 286.40 g/mol. Its IUPAC name is 3-[dimethoxy(methyl)silyl]propyl 5-methyl-4-oxohexa-2,5-dienoate.

Molecular Properties

Compound Name3-[dimethoxy(methyl)silyl]propyl 5-methyl-4-oxohexa-2,5-dienoate
PubChem CID151098780
Molecular FormulaC13H22O5Si
Molecular Weight286.40 g/mol
Exact Mass286.12
IUPAC Name3-[dimethoxy(methyl)silyl]propyl 5-methyl-4-oxohexa-2,5-dienoate
SMILESC=C(C)C(=O)C=CC(=O)OCCC[Si](C)(OC)OC
InChIInChI=1S/C13H22O5Si/c1-11(2)12(14)7-8-13(15)18-9-6-10-19(5,16-3)17-4/h7-8H,1,6,9-10H2,2-5H3
InChIKeyMNRFKOVQMYLXEX-UHFFFAOYSA-N
XLogP1.99
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl (2E,7E)-10-methyl-9-oxoundeca-2,7,10-trienoate
CID 24867777
ethyl (E)-5-[tert-butyl(dimethyl)silyl]oxypent-2-enoate
CID 5468981
methyl (E)-4-[tert-butyl(dimethyl)silyl]oxypent-2-enoate
CID 13838010
methyl (E,4S)-4-[tert-butyl(dimethyl)silyl]oxypent-2-enoate
CID 13838011
ethyl (E)-6-trimethylsilyloxyhex-2-enoate
CID 15947845
methyl (Z)-4-[tert-butyl(dimethyl)silyl]oxypent-2-enoate
CID 134907379
ethyl (E,5R)-5-[tert-butyl(dimethyl)silyl]oxyhex-2-enoate
CID 10084653
(E)-ethyl 6-(tert-butyldimethylsilyloxy)hex-2-enoate
CID 10826090
(E)-5-(tert-butyl-dimethyl-silanyloxy)-pent-2-enoic acid methyl ester
CID 11630130
ethyl (E,4R)-4-tri(propan-2-yl)silyloxyhex-2-enoate
CID 5468979
diethyl (2E,4S,5S,6E)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]octa-2,6-dienedioate
CID 10838660
ethyl (E,4R)-4-[tert-butyl(dimethyl)silyl]oxypent-2-enoate
CID 10901315

Frequently Asked Questions

What is the IUPAC name of 3-[dimethoxy(methyl)silyl]propyl 5-methyl-4-oxohexa-2,5-dienoate?
The IUPAC name of 3-[dimethoxy(methyl)silyl]propyl 5-methyl-4-oxohexa-2,5-dienoate (CID 151098780) is 3-[dimethoxy(methyl)silyl]propyl 5-methyl-4-oxohexa-2,5-dienoate.
What is the SMILES notation for 3-[dimethoxy(methyl)silyl]propyl 5-methyl-4-oxohexa-2,5-dienoate?
The canonical SMILES for 3-[dimethoxy(methyl)silyl]propyl 5-methyl-4-oxohexa-2,5-dienoate is C=C(C)C(=O)C=CC(=O)OCCC[Si](C)(OC)OC.
What is the InChIKey of 3-[dimethoxy(methyl)silyl]propyl 5-methyl-4-oxohexa-2,5-dienoate?
The InChIKey is MNRFKOVQMYLXEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O5Si/c1-11(2)12(14)7-8-13(15)18-9-6-10-19(5,16-3)17-4/h7-8H,1,6,9-10H2,2-5H3.
What are the key properties of 3-[dimethoxy(methyl)silyl]propyl 5-methyl-4-oxohexa-2,5-dienoate?
3-[dimethoxy(methyl)silyl]propyl 5-methyl-4-oxohexa-2,5-dienoate has a molecular weight of 286.40 g/mol, XLogP of 1.99, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[dimethoxy(methyl)silyl]propyl 5-methyl-4-oxohexa-2,5-dienoate is sourced from PubChem (CID 151098780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).