bis(trimethylsilyl) (E)-oct-4-enedioate

C14H28O4Si2 — CID 91753103

IUPACbis(trimethylsilyl) (E)-oct-4-enedioate
SMILESC[Si](C)(C)OC(=O)CC/C=C/CCC(=O)O[Si](C)(C)C
InChIInChI=1S/C14H28O4Si2/c1-19(2,3)17-13(15)11-9-7-8-10-12-14(16)18-20(4,5)6/h7-8H,9-12H2,1-6H3/b8-7+
InChIKeyZMVKLEZAWZSWHA-BQYQJAHWSA-N
MW316.55 g/mol
LogP3.86
Rot. Bonds8

About bis(trimethylsilyl) (E)-oct-4-enedioate

bis(trimethylsilyl) (E)-oct-4-enedioate (PubChem CID 91753103) has the molecular formula C14H28O4Si2 and a molecular weight of 316.55 g/mol. Its IUPAC name is bis(trimethylsilyl) (E)-oct-4-enedioate.

Molecular Properties

Compound Namebis(trimethylsilyl) (E)-oct-4-enedioate
PubChem CID91753103
Molecular FormulaC14H28O4Si2
Molecular Weight316.55 g/mol
Exact Mass316.15
IUPAC Namebis(trimethylsilyl) (E)-oct-4-enedioate
SMILESC[Si](C)(C)OC(=O)CC/C=C/CCC(=O)O[Si](C)(C)C
InChIInChI=1S/C14H28O4Si2/c1-19(2,3)17-13(15)11-9-7-8-10-12-14(16)18-20(4,5)6/h7-8H,9-12H2,1-6H3/b8-7+
InChIKeyZMVKLEZAWZSWHA-BQYQJAHWSA-N
XLogP3.86
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.55
LogP ≤ 53.86
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

Trimethylsilyl 4-pentenoate
CID 554477
Bis(trimethylsilyl) (3E)-3-hexenedioate
CID 5366594
Tri(propan-2-yl)silyl pent-4-enoate
CID 10735566
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
cis-5-Dodecenoic acid, trimethylsilyl ester
CID 91709835
methyl (E,3S)-3-trimethylsilylhex-4-enoate
CID 134938980
methyl (E,3R)-3-trimethylsilylhex-4-enoate
CID 134962008
methyl (E)-6-trimethylsilylhex-4-enoate
CID 134978772
cis-2-Hexenedioic acid, TMS
CID 91753096

Frequently Asked Questions

What is the IUPAC name of bis(trimethylsilyl) (E)-oct-4-enedioate?
The IUPAC name of bis(trimethylsilyl) (E)-oct-4-enedioate (CID 91753103) is bis(trimethylsilyl) (E)-oct-4-enedioate.
What is the SMILES notation for bis(trimethylsilyl) (E)-oct-4-enedioate?
The canonical SMILES for bis(trimethylsilyl) (E)-oct-4-enedioate is C[Si](C)(C)OC(=O)CC/C=C/CCC(=O)O[Si](C)(C)C.
What is the InChIKey of bis(trimethylsilyl) (E)-oct-4-enedioate?
The InChIKey is ZMVKLEZAWZSWHA-BQYQJAHWSA-N. The full InChI is InChI=1S/C14H28O4Si2/c1-19(2,3)17-13(15)11-9-7-8-10-12-14(16)18-20(4,5)6/h7-8H,9-12H2,1-6H3/b8-7+.
What are the key properties of bis(trimethylsilyl) (E)-oct-4-enedioate?
bis(trimethylsilyl) (E)-oct-4-enedioate has a molecular weight of 316.55 g/mol, XLogP of 3.86, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(trimethylsilyl) (E)-oct-4-enedioate is sourced from PubChem (CID 91753103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).