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

C15H26O5Si — CID 172846639

IUPAC3-[diethoxy(methyl)silyl]propyl 5-methyl-4-oxohexa-2,5-dienoate
SMILESC=C(C)C(=O)C=CC(=O)OCCC[Si](C)(OCC)OCC
InChIInChI=1S/C15H26O5Si/c1-6-19-21(5,20-7-2)12-8-11-18-15(17)10-9-14(16)13(3)4/h9-10H,3,6-8,11-12H2,1-2,4-5H3
InChIKeyXMYCMPZOICSATJ-UHFFFAOYSA-N
MW314.45 g/mol
LogP2.77
Rot. Bonds11

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

3-[diethoxy(methyl)silyl]propyl 5-methyl-4-oxohexa-2,5-dienoate (PubChem CID 172846639) has the molecular formula C15H26O5Si and a molecular weight of 314.45 g/mol. Its IUPAC name is 3-[diethoxy(methyl)silyl]propyl 5-methyl-4-oxohexa-2,5-dienoate.

Molecular Properties

Compound Name3-[diethoxy(methyl)silyl]propyl 5-methyl-4-oxohexa-2,5-dienoate
PubChem CID172846639
Molecular FormulaC15H26O5Si
Molecular Weight314.45 g/mol
Exact Mass314.15
IUPAC Name3-[diethoxy(methyl)silyl]propyl 5-methyl-4-oxohexa-2,5-dienoate
SMILESC=C(C)C(=O)C=CC(=O)OCCC[Si](C)(OCC)OCC
InChIInChI=1S/C15H26O5Si/c1-6-19-21(5,20-7-2)12-8-11-18-15(17)10-9-14(16)13(3)4/h9-10H,3,6-8,11-12H2,1-2,4-5H3
InChIKeyXMYCMPZOICSATJ-UHFFFAOYSA-N
XLogP2.77
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 52.77
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-[diethoxy(methyl)silyl]propyl 5-methyl-4-oxohexa-2,5-dienoate?
The IUPAC name of 3-[diethoxy(methyl)silyl]propyl 5-methyl-4-oxohexa-2,5-dienoate (CID 172846639) is 3-[diethoxy(methyl)silyl]propyl 5-methyl-4-oxohexa-2,5-dienoate.
What is the SMILES notation for 3-[diethoxy(methyl)silyl]propyl 5-methyl-4-oxohexa-2,5-dienoate?
The canonical SMILES for 3-[diethoxy(methyl)silyl]propyl 5-methyl-4-oxohexa-2,5-dienoate is C=C(C)C(=O)C=CC(=O)OCCC[Si](C)(OCC)OCC.
What is the InChIKey of 3-[diethoxy(methyl)silyl]propyl 5-methyl-4-oxohexa-2,5-dienoate?
The InChIKey is XMYCMPZOICSATJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O5Si/c1-6-19-21(5,20-7-2)12-8-11-18-15(17)10-9-14(16)13(3)4/h9-10H,3,6-8,11-12H2,1-2,4-5H3.
What are the key properties of 3-[diethoxy(methyl)silyl]propyl 5-methyl-4-oxohexa-2,5-dienoate?
3-[diethoxy(methyl)silyl]propyl 5-methyl-4-oxohexa-2,5-dienoate has a molecular weight of 314.45 g/mol, XLogP of 2.77, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[diethoxy(methyl)silyl]propyl 5-methyl-4-oxohexa-2,5-dienoate is sourced from PubChem (CID 172846639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).