trimethylsilyl (4Z)-4,6-bis(trimethylsilyloxy)hepta-4,6-dienoate

C16H34O4Si3 — CID 5366728

IUPACtrimethylsilyl (4Z)-4,6-bis(trimethylsilyloxy)hepta-4,6-dienoate
SMILESC=C(/C=C(/CCC(=O)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C16H34O4Si3/c1-14(18-21(2,3)4)13-15(19-22(5,6)7)11-12-16(17)20-23(8,9)10/h13H,1,11-12H2,2-10H3/b15-13-
InChIKeyFFVKMUPBHZNWRM-SQFISAMPSA-N
MW374.70 g/mol
LogP5.25
Rot. Bonds9

About trimethylsilyl (4Z)-4,6-bis(trimethylsilyloxy)hepta-4,6-dienoate

trimethylsilyl (4Z)-4,6-bis(trimethylsilyloxy)hepta-4,6-dienoate (PubChem CID 5366728) has the molecular formula C16H34O4Si3 and a molecular weight of 374.70 g/mol. Its IUPAC name is trimethylsilyl (4Z)-4,6-bis(trimethylsilyloxy)hepta-4,6-dienoate.

Molecular Properties

Compound Nametrimethylsilyl (4Z)-4,6-bis(trimethylsilyloxy)hepta-4,6-dienoate
PubChem CID5366728
Molecular FormulaC16H34O4Si3
Molecular Weight374.70 g/mol
Exact Mass374.18
IUPAC Nametrimethylsilyl (4Z)-4,6-bis(trimethylsilyloxy)hepta-4,6-dienoate
SMILESC=C(/C=C(/CCC(=O)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C16H34O4Si3/c1-14(18-21(2,3)4)13-15(19-22(5,6)7)11-12-16(17)20-23(8,9)10/h13H,1,11-12H2,2-10H3/b15-13-
InChIKeyFFVKMUPBHZNWRM-SQFISAMPSA-N
XLogP5.25
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.70
LogP ≤ 55.25
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': 'polyene', 'substructure': 'N/A'}

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Related Compounds

Bis(trimethylsilyl)-3-[(trimethylsilyl)oxy]hex-2-enedioate
CID 6421159
3-Hydroxyhex-2-enedioic acid, tert-butyldimethylsilyl ether, bis(tert-butyldimethylsilyl) ester
CID 91745424
3-Heptenedioic acid, 4-trimethylsilyloxy-, bis(trimethylsilyl) ester
CID 5366768
Succinylacetone per-tms
CID 91739050
Succinylacetone tritms pk2
CID 91739051
trimethylsilyl (4E)-4,6-bis(trimethylsilyloxy)hepta-4,6-dienoate
CID 177463498
(4E,6E)-4,6-bis(trimethylsilyloxy)octa-4,6-dienoic acid
CID 177484767

Frequently Asked Questions

What is the IUPAC name of trimethylsilyl (4Z)-4,6-bis(trimethylsilyloxy)hepta-4,6-dienoate?
The IUPAC name of trimethylsilyl (4Z)-4,6-bis(trimethylsilyloxy)hepta-4,6-dienoate (CID 5366728) is trimethylsilyl (4Z)-4,6-bis(trimethylsilyloxy)hepta-4,6-dienoate.
What is the SMILES notation for trimethylsilyl (4Z)-4,6-bis(trimethylsilyloxy)hepta-4,6-dienoate?
The canonical SMILES for trimethylsilyl (4Z)-4,6-bis(trimethylsilyloxy)hepta-4,6-dienoate is C=C(/C=C(/CCC(=O)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl (4Z)-4,6-bis(trimethylsilyloxy)hepta-4,6-dienoate?
The InChIKey is FFVKMUPBHZNWRM-SQFISAMPSA-N. The full InChI is InChI=1S/C16H34O4Si3/c1-14(18-21(2,3)4)13-15(19-22(5,6)7)11-12-16(17)20-23(8,9)10/h13H,1,11-12H2,2-10H3/b15-13-.
What are the key properties of trimethylsilyl (4Z)-4,6-bis(trimethylsilyloxy)hepta-4,6-dienoate?
trimethylsilyl (4Z)-4,6-bis(trimethylsilyloxy)hepta-4,6-dienoate has a molecular weight of 374.70 g/mol, XLogP of 5.25, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl (4Z)-4,6-bis(trimethylsilyloxy)hepta-4,6-dienoate is sourced from PubChem (CID 5366728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).