dimethyl (E)-2-silylbut-2-enedioate

C6H10O4Si — CID 174668812

IUPACdimethyl (E)-2-silylbut-2-enedioate
SMILESCOC(=O)/C=C(/[SiH3])C(=O)OC
InChIInChI=1S/C6H10O4Si/c1-9-5(7)3-4(11)6(8)10-2/h3H,1-2,11H3/b4-3+
InChIKeyZXTMMDUPFFRRAZ-ONEGZZNKSA-N
MW174.23 g/mol
LogP-1.42
Rot. Bonds2

About dimethyl (E)-2-silylbut-2-enedioate

dimethyl (E)-2-silylbut-2-enedioate (PubChem CID 174668812) has the molecular formula C6H10O4Si and a molecular weight of 174.23 g/mol. Its IUPAC name is dimethyl (E)-2-silylbut-2-enedioate.

Molecular Properties

Compound Namedimethyl (E)-2-silylbut-2-enedioate
PubChem CID174668812
Molecular FormulaC6H10O4Si
Molecular Weight174.23 g/mol
Exact Mass174.03
IUPAC Namedimethyl (E)-2-silylbut-2-enedioate
SMILESCOC(=O)/C=C(/[SiH3])C(=O)OC
InChIInChI=1S/C6H10O4Si/c1-9-5(7)3-4(11)6(8)10-2/h3H,1-2,11H3/b4-3+
InChIKeyZXTMMDUPFFRRAZ-ONEGZZNKSA-N
XLogP-1.42
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.23
LogP ≤ 5-1.42
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'}

Analyze dimethyl (E)-2-silylbut-2-enedioate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of dimethyl (E)-2-silylbut-2-enedioate?
The IUPAC name of dimethyl (E)-2-silylbut-2-enedioate (CID 174668812) is dimethyl (E)-2-silylbut-2-enedioate.
What is the SMILES notation for dimethyl (E)-2-silylbut-2-enedioate?
The canonical SMILES for dimethyl (E)-2-silylbut-2-enedioate is COC(=O)/C=C(/[SiH3])C(=O)OC.
What is the InChIKey of dimethyl (E)-2-silylbut-2-enedioate?
The InChIKey is ZXTMMDUPFFRRAZ-ONEGZZNKSA-N. The full InChI is InChI=1S/C6H10O4Si/c1-9-5(7)3-4(11)6(8)10-2/h3H,1-2,11H3/b4-3+.
What are the key properties of dimethyl (E)-2-silylbut-2-enedioate?
dimethyl (E)-2-silylbut-2-enedioate has a molecular weight of 174.23 g/mol, XLogP of -1.42, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (E)-2-silylbut-2-enedioate is sourced from PubChem (CID 174668812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).