(3E,5E)-1-[ethoxy(dimethyl)silyl]hepta-3,5-dien-2-one

C11H20O2Si — CID 141365281

IUPAC(3E,5E)-1-[ethoxy(dimethyl)silyl]hepta-3,5-dien-2-one
SMILESC/C=C/C=C/C(=O)C[Si](C)(C)OCC
InChIInChI=1S/C11H20O2Si/c1-5-7-8-9-11(12)10-14(3,4)13-6-2/h5,7-9H,6,10H2,1-4H3/b7-5+,9-8+
InChIKeyCWMFXKRWWAVTAC-ZIRGRKGMSA-N
MW212.37 g/mol
LogP2.93
Rot. Bonds6

About (3E,5E)-1-[ethoxy(dimethyl)silyl]hepta-3,5-dien-2-one

(3E,5E)-1-[ethoxy(dimethyl)silyl]hepta-3,5-dien-2-one (PubChem CID 141365281) has the molecular formula C11H20O2Si and a molecular weight of 212.37 g/mol. Its IUPAC name is (3E,5E)-1-[ethoxy(dimethyl)silyl]hepta-3,5-dien-2-one.

Molecular Properties

Compound Name(3E,5E)-1-[ethoxy(dimethyl)silyl]hepta-3,5-dien-2-one
PubChem CID141365281
Molecular FormulaC11H20O2Si
Molecular Weight212.37 g/mol
Exact Mass212.12
IUPAC Name(3E,5E)-1-[ethoxy(dimethyl)silyl]hepta-3,5-dien-2-one
SMILESC/C=C/C=C/C(=O)C[Si](C)(C)OCC
InChIInChI=1S/C11H20O2Si/c1-5-7-8-9-11(12)10-14(3,4)13-6-2/h5,7-9H,6,10H2,1-4H3/b7-5+,9-8+
InChIKeyCWMFXKRWWAVTAC-ZIRGRKGMSA-N
XLogP2.93
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.37
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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

(2E,4E)-7-[tert-butyl(dimethyl)silyl]oxyhepta-2,4-dienal
CID 11715676
(E)-8-[tert-butyl(dimethyl)silyl]oxyoct-3-en-2-one
CID 12021523
(3E)-5-trimethylsilylhepta-3,5,6-trien-2-one
CID 14295008
(E)-6-tri(propan-2-yl)silyloxyhex-4-en-3-one
CID 24745033
(3E,5E)-7,7-dimethyl-5-trimethylsilylocta-3,5-dien-2-one
CID 53362296
(3E,5E)-5,6-bis(trimethylsilyl)hexa-3,5-dien-2-one
CID 53362297
(6S,3E)-6-(Triethylsilyloxy)-3,7-octadien-2-one
CID 56946991
(3E,5E)-6-methyl-7-tri(propan-2-yl)silyloxyhepta-3,5-dien-2-one
CID 102109295
(2E,4E)-8-[tert-butyl(dimethyl)silyl]oxyocta-2,4-dienal
CID 134866852
(3E,5E)-7-[tert-butyl(dimethyl)silyl]oxy-6-methylocta-3,5-dien-2-one
CID 134897761
(1E,4Z)-1-trimethylsilylhexa-1,4-dien-3-one
CID 134900995
(Z)-8-[tert-butyl(dimethyl)silyl]oxyoct-3-en-2-one
CID 134982277

Frequently Asked Questions

What is the IUPAC name of (3E,5E)-1-[ethoxy(dimethyl)silyl]hepta-3,5-dien-2-one?
The IUPAC name of (3E,5E)-1-[ethoxy(dimethyl)silyl]hepta-3,5-dien-2-one (CID 141365281) is (3E,5E)-1-[ethoxy(dimethyl)silyl]hepta-3,5-dien-2-one.
What is the SMILES notation for (3E,5E)-1-[ethoxy(dimethyl)silyl]hepta-3,5-dien-2-one?
The canonical SMILES for (3E,5E)-1-[ethoxy(dimethyl)silyl]hepta-3,5-dien-2-one is C/C=C/C=C/C(=O)C[Si](C)(C)OCC.
What is the InChIKey of (3E,5E)-1-[ethoxy(dimethyl)silyl]hepta-3,5-dien-2-one?
The InChIKey is CWMFXKRWWAVTAC-ZIRGRKGMSA-N. The full InChI is InChI=1S/C11H20O2Si/c1-5-7-8-9-11(12)10-14(3,4)13-6-2/h5,7-9H,6,10H2,1-4H3/b7-5+,9-8+.
What are the key properties of (3E,5E)-1-[ethoxy(dimethyl)silyl]hepta-3,5-dien-2-one?
(3E,5E)-1-[ethoxy(dimethyl)silyl]hepta-3,5-dien-2-one has a molecular weight of 212.37 g/mol, XLogP of 2.93, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E)-1-[ethoxy(dimethyl)silyl]hepta-3,5-dien-2-one is sourced from PubChem (CID 141365281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).