bis(trimethylsilyl) (Z)-4-trimethylsilyloxyhept-3-enedioate

C16H34O5Si3 — CID 5366768

IUPACbis(trimethylsilyl) (Z)-4-trimethylsilyloxyhept-3-enedioate
SMILESC[Si](C)(C)OC(=O)C/C=C(/CCC(=O)O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C16H34O5Si3/c1-22(2,3)19-14(10-12-15(17)20-23(4,5)6)11-13-16(18)21-24(7,8)9/h10H,11-13H2,1-9H3/b14-10-
InChIKeyXVBWHFCYZBDKAD-UVTDQMKNSA-N
MW390.70 g/mol
LogP4.65
Rot. Bonds9

About bis(trimethylsilyl) (Z)-4-trimethylsilyloxyhept-3-enedioate

bis(trimethylsilyl) (Z)-4-trimethylsilyloxyhept-3-enedioate (PubChem CID 5366768) has the molecular formula C16H34O5Si3 and a molecular weight of 390.70 g/mol. Its IUPAC name is bis(trimethylsilyl) (Z)-4-trimethylsilyloxyhept-3-enedioate.

Molecular Properties

Compound Namebis(trimethylsilyl) (Z)-4-trimethylsilyloxyhept-3-enedioate
PubChem CID5366768
Molecular FormulaC16H34O5Si3
Molecular Weight390.70 g/mol
Exact Mass390.17
IUPAC Namebis(trimethylsilyl) (Z)-4-trimethylsilyloxyhept-3-enedioate
SMILESC[Si](C)(C)OC(=O)C/C=C(/CCC(=O)O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C16H34O5Si3/c1-22(2,3)19-14(10-12-15(17)20-23(4,5)6)11-13-16(18)21-24(7,8)9/h10H,11-13H2,1-9H3/b14-10-
InChIKeyXVBWHFCYZBDKAD-UVTDQMKNSA-N
XLogP4.65
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.70
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', '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
Succinylacetone diTBDMS
CID 6430577
Succinylacetone, TMS
CID 91749620
bis(trimethylsilyl) (3Z,6Z)-deca-3,6-dienedioate
CID 5366442
4,6-Diketooctanoic acid,O,O'-bis(trimethylsilyl)
CID 5366647
4,6-Dioxoheptanoic acid, tris-(O-trimethylsilyl)-
CID 5366728
diethyl (E)-4-trimethylsilyloxyhept-3-enedioate
CID 11722472
trimethylsilyl (4E)-4,6-bis(trimethylsilyloxy)hepta-4,6-dienoate
CID 177463498

Frequently Asked Questions

What is the IUPAC name of bis(trimethylsilyl) (Z)-4-trimethylsilyloxyhept-3-enedioate?
The IUPAC name of bis(trimethylsilyl) (Z)-4-trimethylsilyloxyhept-3-enedioate (CID 5366768) is bis(trimethylsilyl) (Z)-4-trimethylsilyloxyhept-3-enedioate.
What is the SMILES notation for bis(trimethylsilyl) (Z)-4-trimethylsilyloxyhept-3-enedioate?
The canonical SMILES for bis(trimethylsilyl) (Z)-4-trimethylsilyloxyhept-3-enedioate is C[Si](C)(C)OC(=O)C/C=C(/CCC(=O)O[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of bis(trimethylsilyl) (Z)-4-trimethylsilyloxyhept-3-enedioate?
The InChIKey is XVBWHFCYZBDKAD-UVTDQMKNSA-N. The full InChI is InChI=1S/C16H34O5Si3/c1-22(2,3)19-14(10-12-15(17)20-23(4,5)6)11-13-16(18)21-24(7,8)9/h10H,11-13H2,1-9H3/b14-10-.
What are the key properties of bis(trimethylsilyl) (Z)-4-trimethylsilyloxyhept-3-enedioate?
bis(trimethylsilyl) (Z)-4-trimethylsilyloxyhept-3-enedioate has a molecular weight of 390.70 g/mol, XLogP of 4.65, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(trimethylsilyl) (Z)-4-trimethylsilyloxyhept-3-enedioate is sourced from PubChem (CID 5366768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).