bis(trimethylsilyl) pent-2-enedioate

C11H22O4Si2 — CID 553041

IUPACbis(trimethylsilyl) pent-2-enedioate
SMILESC[Si](C)(C)OC(=O)C=CCC(=O)O[Si](C)(C)C
InChIInChI=1S/C11H22O4Si2/c1-16(2,3)14-10(12)8-7-9-11(13)15-17(4,5)6/h7-8H,9H2,1-6H3
InChIKeyXYCDBRYVUTZVCR-UHFFFAOYSA-N
MW274.46 g/mol
LogP2.69
Rot. Bonds5

About bis(trimethylsilyl) pent-2-enedioate

bis(trimethylsilyl) pent-2-enedioate (PubChem CID 553041) has the molecular formula C11H22O4Si2 and a molecular weight of 274.46 g/mol. Its IUPAC name is bis(trimethylsilyl) pent-2-enedioate.

Molecular Properties

Compound Namebis(trimethylsilyl) pent-2-enedioate
PubChem CID553041
Molecular FormulaC11H22O4Si2
Molecular Weight274.46 g/mol
Exact Mass274.11
IUPAC Namebis(trimethylsilyl) pent-2-enedioate
SMILESC[Si](C)(C)OC(=O)C=CCC(=O)O[Si](C)(C)C
InChIInChI=1S/C11H22O4Si2/c1-16(2,3)14-10(12)8-7-9-11(13)15-17(4,5)6/h7-8H,9H2,1-6H3
InChIKeyXYCDBRYVUTZVCR-UHFFFAOYSA-N
XLogP2.69
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.46
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

trimethylsilyl hex-2-enoate
CID 598634
bis(trimethylsilyl) (Z)-oct-4-enedioate
CID 91753100
trimethylsilyl 2-fluoroacetate
CID 123819311
but-3-enoic acid;trimethylsilyl but-3-enoate
CID 159552551
bis(trimethylsilyl) (Z)-3-trimethylsilyloxyhex-2-enedioate
CID 6421159
trimethylsilyl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate
CID 5366427
trimethylsilyl (E)-4-(dipropylamino)-4-oxobut-2-enoate
CID 13183050
dimethyl (2E,5E)-hepta-2,5-dienedioate
CID 23523209
trimethylsilyl (13Z,16Z)-docosa-13,16-dienoate
CID 91696446
[dimethyl(octadec-2-enoyloxy)silyl] octadec-2-enoate
CID 170848581
trimethylsilyl (E)-octadec-11-enoate
CID 5366419
trimethylsilyl (E)-8-oxooct-4-enoate
CID 23261458

Frequently Asked Questions

What is the IUPAC name of bis(trimethylsilyl) pent-2-enedioate?
The IUPAC name of bis(trimethylsilyl) pent-2-enedioate (CID 553041) is bis(trimethylsilyl) pent-2-enedioate.
What is the SMILES notation for bis(trimethylsilyl) pent-2-enedioate?
The canonical SMILES for bis(trimethylsilyl) pent-2-enedioate is C[Si](C)(C)OC(=O)C=CCC(=O)O[Si](C)(C)C.
What is the InChIKey of bis(trimethylsilyl) pent-2-enedioate?
The InChIKey is XYCDBRYVUTZVCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O4Si2/c1-16(2,3)14-10(12)8-7-9-11(13)15-17(4,5)6/h7-8H,9H2,1-6H3.
What are the key properties of bis(trimethylsilyl) pent-2-enedioate?
bis(trimethylsilyl) pent-2-enedioate has a molecular weight of 274.46 g/mol, XLogP of 2.69, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(trimethylsilyl) pent-2-enedioate is sourced from PubChem (CID 553041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).