bis(trimethylsilyl) (3Z,6Z)-deca-3,6-dienedioate

C16H30O4Si2 — CID 5366442

IUPACbis(trimethylsilyl) (3Z,6Z)-deca-3,6-dienedioate
SMILESC[Si](C)(C)OC(=O)C/C=C\C/C=C\CCC(=O)O[Si](C)(C)C
InChIInChI=1S/C16H30O4Si2/c1-21(2,3)19-15(17)13-11-9-7-8-10-12-14-16(18)20-22(4,5)6/h7,9-10,12H,8,11,13-14H2,1-6H3/b9-7-,12-10-
InChIKeyJTIUEOAGXZVCEJ-GEHMVYPESA-N
MW342.58 g/mol
LogP4.42
Rot. Bonds9

About bis(trimethylsilyl) (3Z,6Z)-deca-3,6-dienedioate

bis(trimethylsilyl) (3Z,6Z)-deca-3,6-dienedioate (PubChem CID 5366442) has the molecular formula C16H30O4Si2 and a molecular weight of 342.58 g/mol. Its IUPAC name is bis(trimethylsilyl) (3Z,6Z)-deca-3,6-dienedioate.

Molecular Properties

Compound Namebis(trimethylsilyl) (3Z,6Z)-deca-3,6-dienedioate
PubChem CID5366442
Molecular FormulaC16H30O4Si2
Molecular Weight342.58 g/mol
Exact Mass342.17
IUPAC Namebis(trimethylsilyl) (3Z,6Z)-deca-3,6-dienedioate
SMILESC[Si](C)(C)OC(=O)C/C=C\C/C=C\CCC(=O)O[Si](C)(C)C
InChIInChI=1S/C16H30O4Si2/c1-21(2,3)19-15(17)13-11-9-7-8-10-12-14-16(18)20-22(4,5)6/h7,9-10,12H,8,11,13-14H2,1-6H3/b9-7-,12-10-
InChIKeyJTIUEOAGXZVCEJ-GEHMVYPESA-N
XLogP4.42
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.58
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Bis(trimethylsilyl) (3E)-3-hexenedioate
CID 5366594
2-Hexenedioic acid, bis(trimethylsilyl) ester, (E)-
CID 5366447
cis-4,7,10,13,16,19-Docosahexaenoic acid, trimethylsilyl ester
CID 91696460
cis-4,7,10,13,16,19-Docosahexaenoic acid, tert-butyldimethylsilyl ester
CID 91697182
cis-5,8,11,14,17-Eicosapentaenoic acid, trimethylsilyl ester
CID 91697558
trans-4-Octenedioic acid, TMS
CID 91753103
cis-2-Hexenedioic acid, TMS
CID 91753096
cis-3-Hexenedioic acid, TMS
CID 91753098
cis-3-Octenedioic acid, TMS
CID 91753099
cis-4-Octenedioic acid, TMS
CID 91753100
trans-3-Octenedioic acid, TMS
CID 91753102
3-Octenoic acid, trimethylsilyl ester
CID 5366454

Frequently Asked Questions

What is the IUPAC name of bis(trimethylsilyl) (3Z,6Z)-deca-3,6-dienedioate?
The IUPAC name of bis(trimethylsilyl) (3Z,6Z)-deca-3,6-dienedioate (CID 5366442) is bis(trimethylsilyl) (3Z,6Z)-deca-3,6-dienedioate.
What is the SMILES notation for bis(trimethylsilyl) (3Z,6Z)-deca-3,6-dienedioate?
The canonical SMILES for bis(trimethylsilyl) (3Z,6Z)-deca-3,6-dienedioate is C[Si](C)(C)OC(=O)C/C=C\C/C=C\CCC(=O)O[Si](C)(C)C.
What is the InChIKey of bis(trimethylsilyl) (3Z,6Z)-deca-3,6-dienedioate?
The InChIKey is JTIUEOAGXZVCEJ-GEHMVYPESA-N. The full InChI is InChI=1S/C16H30O4Si2/c1-21(2,3)19-15(17)13-11-9-7-8-10-12-14-16(18)20-22(4,5)6/h7,9-10,12H,8,11,13-14H2,1-6H3/b9-7-,12-10-.
What are the key properties of bis(trimethylsilyl) (3Z,6Z)-deca-3,6-dienedioate?
bis(trimethylsilyl) (3Z,6Z)-deca-3,6-dienedioate has a molecular weight of 342.58 g/mol, XLogP of 4.42, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(trimethylsilyl) (3Z,6Z)-deca-3,6-dienedioate is sourced from PubChem (CID 5366442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).