bis(ethenyl) (Z)-2-methylbut-2-enedioate

C9H10O4 — CID 11819677

IUPACbis(ethenyl) (Z)-2-methylbut-2-enedioate
SMILESC=COC(=O)/C=C(/C)C(=O)OC=C
InChIInChI=1S/C9H10O4/c1-4-12-8(10)6-7(3)9(11)13-5-2/h4-6H,1-2H2,3H3/b7-6-
InChIKeyVGSLORJPNYOXGN-SREVYHEPSA-N
MW182.17 g/mol
LogP1.31
Rot. Bonds4

About bis(ethenyl) (Z)-2-methylbut-2-enedioate

bis(ethenyl) (Z)-2-methylbut-2-enedioate (PubChem CID 11819677) has the molecular formula C9H10O4 and a molecular weight of 182.17 g/mol. Its IUPAC name is bis(ethenyl) (Z)-2-methylbut-2-enedioate.

Molecular Properties

Compound Namebis(ethenyl) (Z)-2-methylbut-2-enedioate
PubChem CID11819677
Molecular FormulaC9H10O4
Molecular Weight182.17 g/mol
Exact Mass182.06
IUPAC Namebis(ethenyl) (Z)-2-methylbut-2-enedioate
SMILESC=COC(=O)/C=C(/C)C(=O)OC=C
InChIInChI=1S/C9H10O4/c1-4-12-8(10)6-7(3)9(11)13-5-2/h4-6H,1-2H2,3H3/b7-6-
InChIKeyVGSLORJPNYOXGN-SREVYHEPSA-N
XLogP1.31
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.17
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', '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(ethenyl) (Z)-2-methylbut-2-enedioate?
The IUPAC name of bis(ethenyl) (Z)-2-methylbut-2-enedioate (CID 11819677) is bis(ethenyl) (Z)-2-methylbut-2-enedioate.
What is the SMILES notation for bis(ethenyl) (Z)-2-methylbut-2-enedioate?
The canonical SMILES for bis(ethenyl) (Z)-2-methylbut-2-enedioate is C=COC(=O)/C=C(/C)C(=O)OC=C.
What is the InChIKey of bis(ethenyl) (Z)-2-methylbut-2-enedioate?
The InChIKey is VGSLORJPNYOXGN-SREVYHEPSA-N. The full InChI is InChI=1S/C9H10O4/c1-4-12-8(10)6-7(3)9(11)13-5-2/h4-6H,1-2H2,3H3/b7-6-.
What are the key properties of bis(ethenyl) (Z)-2-methylbut-2-enedioate?
bis(ethenyl) (Z)-2-methylbut-2-enedioate has a molecular weight of 182.17 g/mol, XLogP of 1.31, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(ethenyl) (Z)-2-methylbut-2-enedioate is sourced from PubChem (CID 11819677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).