trimethylsilyl (2Z,4Z)-6-oxo-4-trimethylsilyloxyhepta-2,4-dienoate

C13H24O4Si2 — CID 5374893

IUPACtrimethylsilyl (2Z,4Z)-6-oxo-4-trimethylsilyloxyhepta-2,4-dienoate
SMILESCC(=O)/C=C(/C=C\C(=O)O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C13H24O4Si2/c1-11(14)10-12(16-18(2,3)4)8-9-13(15)17-19(5,6)7/h8-10H,1-7H3/b9-8-,12-10-
InChIKeySKNFFQFMAUKFJK-DMGFJBLZSA-N
MW300.50 g/mol
LogP3.25
Rot. Bonds6

About trimethylsilyl (2Z,4Z)-6-oxo-4-trimethylsilyloxyhepta-2,4-dienoate

trimethylsilyl (2Z,4Z)-6-oxo-4-trimethylsilyloxyhepta-2,4-dienoate (PubChem CID 5374893) has the molecular formula C13H24O4Si2 and a molecular weight of 300.50 g/mol. Its IUPAC name is trimethylsilyl (2Z,4Z)-6-oxo-4-trimethylsilyloxyhepta-2,4-dienoate.

Molecular Properties

Compound Nametrimethylsilyl (2Z,4Z)-6-oxo-4-trimethylsilyloxyhepta-2,4-dienoate
PubChem CID5374893
Molecular FormulaC13H24O4Si2
Molecular Weight300.50 g/mol
Exact Mass300.12
IUPAC Nametrimethylsilyl (2Z,4Z)-6-oxo-4-trimethylsilyloxyhepta-2,4-dienoate
SMILESCC(=O)/C=C(/C=C\C(=O)O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C13H24O4Si2/c1-11(14)10-12(16-18(2,3)4)8-9-13(15)17-19(5,6)7/h8-10H,1-7H3/b9-8-,12-10-
InChIKeySKNFFQFMAUKFJK-DMGFJBLZSA-N
XLogP3.25
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.50
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

trimethylsilyl (E)-3-trimethylsilyloxybut-2-enoate
CID 6427114
bis[chloro(dimethyl)silyl] but-2-enedioate
CID 91541639
bis(trimethylsilyl) (E)-2-methylbut-2-enedioate
CID 12598819
trimethylsilyl (E)-3-methylpent-2-enoate
CID 10012676
trimethylsilyl 4-bromo-3-methylbut-2-enoate
CID 71409748
trimethylsilyl hex-2-enoate
CID 598634
trimethylsilyl (E)-4-(dipropylamino)-4-oxobut-2-enoate
CID 13183050
bis(trimethylsilyl) pent-2-enedioate
CID 553041
1-O-cyclohexyl 4-O-trimethylsilyl (E)-but-2-enedioate
CID 19864022
4-ethoxy-4-trimethylsilyloxybut-3-en-2-one
CID 71327852
tert-butyl (Z)-3-trimethylsilyloxybut-2-enoate
CID 87603197
bis[tri(propan-2-yl)silyl] but-2-enedioate
CID 123991340

Frequently Asked Questions

What is the IUPAC name of trimethylsilyl (2Z,4Z)-6-oxo-4-trimethylsilyloxyhepta-2,4-dienoate?
The IUPAC name of trimethylsilyl (2Z,4Z)-6-oxo-4-trimethylsilyloxyhepta-2,4-dienoate (CID 5374893) is trimethylsilyl (2Z,4Z)-6-oxo-4-trimethylsilyloxyhepta-2,4-dienoate.
What is the SMILES notation for trimethylsilyl (2Z,4Z)-6-oxo-4-trimethylsilyloxyhepta-2,4-dienoate?
The canonical SMILES for trimethylsilyl (2Z,4Z)-6-oxo-4-trimethylsilyloxyhepta-2,4-dienoate is CC(=O)/C=C(/C=C\C(=O)O[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl (2Z,4Z)-6-oxo-4-trimethylsilyloxyhepta-2,4-dienoate?
The InChIKey is SKNFFQFMAUKFJK-DMGFJBLZSA-N. The full InChI is InChI=1S/C13H24O4Si2/c1-11(14)10-12(16-18(2,3)4)8-9-13(15)17-19(5,6)7/h8-10H,1-7H3/b9-8-,12-10-.
What are the key properties of trimethylsilyl (2Z,4Z)-6-oxo-4-trimethylsilyloxyhepta-2,4-dienoate?
trimethylsilyl (2Z,4Z)-6-oxo-4-trimethylsilyloxyhepta-2,4-dienoate has a molecular weight of 300.50 g/mol, XLogP of 3.25, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl (2Z,4Z)-6-oxo-4-trimethylsilyloxyhepta-2,4-dienoate is sourced from PubChem (CID 5374893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).