bis[chloro(dimethyl)silyl] but-2-enedioate

C8H14Cl2O4Si2 — CID 91541639

IUPACbis[chloro(dimethyl)silyl] but-2-enedioate
SMILESC[Si](C)(Cl)OC(=O)C=CC(=O)O[Si](C)(C)Cl
InChIInChI=1S/C8H14Cl2O4Si2/c1-15(2,9)13-7(11)5-6-8(12)14-16(3,4)10/h5-6H,1-4H3
InChIKeyHZLSUPQQHKLMLS-UHFFFAOYSA-N
MW301.27 g/mol
LogP2.51
Rot. Bonds4

About bis[chloro(dimethyl)silyl] but-2-enedioate

bis[chloro(dimethyl)silyl] but-2-enedioate (PubChem CID 91541639) has the molecular formula C8H14Cl2O4Si2 and a molecular weight of 301.27 g/mol. Its IUPAC name is bis[chloro(dimethyl)silyl] but-2-enedioate.

Molecular Properties

Compound Namebis[chloro(dimethyl)silyl] but-2-enedioate
PubChem CID91541639
Molecular FormulaC8H14Cl2O4Si2
Molecular Weight301.27 g/mol
Exact Mass299.98
IUPAC Namebis[chloro(dimethyl)silyl] but-2-enedioate
SMILESC[Si](C)(Cl)OC(=O)C=CC(=O)O[Si](C)(C)Cl
InChIInChI=1S/C8H14Cl2O4Si2/c1-15(2,9)13-7(11)5-6-8(12)14-16(3,4)10/h5-6H,1-4H3
InChIKeyHZLSUPQQHKLMLS-UHFFFAOYSA-N
XLogP2.51
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.27
LogP ≤ 52.51
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'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'}

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Related Compounds

trimethylsilyl (2Z,4Z)-6-oxo-4-trimethylsilyloxyhepta-2,4-dienoate
CID 5374893
bis[tri(propan-2-yl)silyl] but-2-enedioate
CID 123991340
(Z)-4-oxo-4-tri(propan-2-yl)silyloxybut-2-enoic acid
CID 167577175
trimethylsilyl hex-2-enoate
CID 598634
trimethylsilyl (E)-4-(dipropylamino)-4-oxobut-2-enoate
CID 13183050
bis(chloromethyl) but-2-enedioate
CID 57287087
1-O-cyclohexyl 4-O-trimethylsilyl (E)-but-2-enedioate
CID 19864022
bis(trimethylsilyl) pent-2-enedioate
CID 553041
CID 160615105
CID 160615105
methyl (E)-4-chloro-4-oxobut-2-enoate
CID 6536970
[tert-butyl(dimethyl)silyl] (2E,4E)-hexa-2,4-dienoate
CID 5374163
2-trimethylsilylethyl (E)-4-chloro-4-oxobut-2-enoate
CID 10082789

Frequently Asked Questions

What is the IUPAC name of bis[chloro(dimethyl)silyl] but-2-enedioate?
The IUPAC name of bis[chloro(dimethyl)silyl] but-2-enedioate (CID 91541639) is bis[chloro(dimethyl)silyl] but-2-enedioate.
What is the SMILES notation for bis[chloro(dimethyl)silyl] but-2-enedioate?
The canonical SMILES for bis[chloro(dimethyl)silyl] but-2-enedioate is C[Si](C)(Cl)OC(=O)C=CC(=O)O[Si](C)(C)Cl.
What is the InChIKey of bis[chloro(dimethyl)silyl] but-2-enedioate?
The InChIKey is HZLSUPQQHKLMLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14Cl2O4Si2/c1-15(2,9)13-7(11)5-6-8(12)14-16(3,4)10/h5-6H,1-4H3.
What are the key properties of bis[chloro(dimethyl)silyl] but-2-enedioate?
bis[chloro(dimethyl)silyl] but-2-enedioate has a molecular weight of 301.27 g/mol, XLogP of 2.51, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis[chloro(dimethyl)silyl] but-2-enedioate is sourced from PubChem (CID 91541639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).