bis(trimethylsilyl) (Z)-hex-2-enedioate

C12H24O4Si2 — CID 91753096

IUPACbis(trimethylsilyl) (Z)-hex-2-enedioate
SMILESC[Si](C)(C)OC(=O)/C=C\CCC(=O)O[Si](C)(C)C
InChIInChI=1S/C12H24O4Si2/c1-17(2,3)15-11(13)9-7-8-10-12(14)16-18(4,5)6/h7,9H,8,10H2,1-6H3/b9-7-
InChIKeyBVXJLSYCPJDQEM-CLFYSBASSA-N
MW288.49 g/mol
LogP3.08
Rot. Bonds6

About bis(trimethylsilyl) (Z)-hex-2-enedioate

bis(trimethylsilyl) (Z)-hex-2-enedioate (PubChem CID 91753096) has the molecular formula C12H24O4Si2 and a molecular weight of 288.49 g/mol. Its IUPAC name is bis(trimethylsilyl) (Z)-hex-2-enedioate.

Molecular Properties

Compound Namebis(trimethylsilyl) (Z)-hex-2-enedioate
PubChem CID91753096
Molecular FormulaC12H24O4Si2
Molecular Weight288.49 g/mol
Exact Mass288.12
IUPAC Namebis(trimethylsilyl) (Z)-hex-2-enedioate
SMILESC[Si](C)(C)OC(=O)/C=C\CCC(=O)O[Si](C)(C)C
InChIInChI=1S/C12H24O4Si2/c1-17(2,3)15-11(13)9-7-8-10-12(14)16-18(4,5)6/h7,9H,8,10H2,1-6H3/b9-7-
InChIKeyBVXJLSYCPJDQEM-CLFYSBASSA-N
XLogP3.08
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.49
LogP ≤ 53.08
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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Frequently Asked Questions

What is the IUPAC name of bis(trimethylsilyl) (Z)-hex-2-enedioate?
The IUPAC name of bis(trimethylsilyl) (Z)-hex-2-enedioate (CID 91753096) is bis(trimethylsilyl) (Z)-hex-2-enedioate.
What is the SMILES notation for bis(trimethylsilyl) (Z)-hex-2-enedioate?
The canonical SMILES for bis(trimethylsilyl) (Z)-hex-2-enedioate is C[Si](C)(C)OC(=O)/C=C\CCC(=O)O[Si](C)(C)C.
What is the InChIKey of bis(trimethylsilyl) (Z)-hex-2-enedioate?
The InChIKey is BVXJLSYCPJDQEM-CLFYSBASSA-N. The full InChI is InChI=1S/C12H24O4Si2/c1-17(2,3)15-11(13)9-7-8-10-12(14)16-18(4,5)6/h7,9H,8,10H2,1-6H3/b9-7-.
What are the key properties of bis(trimethylsilyl) (Z)-hex-2-enedioate?
bis(trimethylsilyl) (Z)-hex-2-enedioate has a molecular weight of 288.49 g/mol, XLogP of 3.08, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(trimethylsilyl) (Z)-hex-2-enedioate is sourced from PubChem (CID 91753096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).