[(E)-2-methylbut-2-enoyl] (E)-2-methylbut-2-enoate

C10H14O3 — CID 11063036

IUPAC[(E)-2-methylbut-2-enoyl] (E)-2-methylbut-2-enoate
SMILESC/C=C(\C)C(=O)OC(=O)/C(C)=C/C
InChIInChI=1S/C10H14O3/c1-5-7(3)9(11)13-10(12)8(4)6-2/h5-6H,1-4H3/b7-5+,8-6+
InChIKeyLIHLSLRANKCHLV-KQQUZDAGSA-N
MW182.22 g/mol
LogP1.99
Rot. Bonds2

About [(E)-2-methylbut-2-enoyl] (E)-2-methylbut-2-enoate

[(E)-2-methylbut-2-enoyl] (E)-2-methylbut-2-enoate (PubChem CID 11063036) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is [(E)-2-methylbut-2-enoyl] (E)-2-methylbut-2-enoate.

Molecular Properties

Compound Name[(E)-2-methylbut-2-enoyl] (E)-2-methylbut-2-enoate
PubChem CID11063036
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Name[(E)-2-methylbut-2-enoyl] (E)-2-methylbut-2-enoate
SMILESC/C=C(\C)C(=O)OC(=O)/C(C)=C/C
InChIInChI=1S/C10H14O3/c1-5-7(3)9(11)13-10(12)8(4)6-2/h5-6H,1-4H3/b7-5+,8-6+
InChIKeyLIHLSLRANKCHLV-KQQUZDAGSA-N
XLogP1.99
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(E)-2-methylbut-2-enoyl] (E)-2-methylbut-2-enoate?
The IUPAC name of [(E)-2-methylbut-2-enoyl] (E)-2-methylbut-2-enoate (CID 11063036) is [(E)-2-methylbut-2-enoyl] (E)-2-methylbut-2-enoate.
What is the SMILES notation for [(E)-2-methylbut-2-enoyl] (E)-2-methylbut-2-enoate?
The canonical SMILES for [(E)-2-methylbut-2-enoyl] (E)-2-methylbut-2-enoate is C/C=C(\C)C(=O)OC(=O)/C(C)=C/C.
What is the InChIKey of [(E)-2-methylbut-2-enoyl] (E)-2-methylbut-2-enoate?
The InChIKey is LIHLSLRANKCHLV-KQQUZDAGSA-N. The full InChI is InChI=1S/C10H14O3/c1-5-7(3)9(11)13-10(12)8(4)6-2/h5-6H,1-4H3/b7-5+,8-6+.
What are the key properties of [(E)-2-methylbut-2-enoyl] (E)-2-methylbut-2-enoate?
[(E)-2-methylbut-2-enoyl] (E)-2-methylbut-2-enoate has a molecular weight of 182.22 g/mol, XLogP of 1.99, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2-methylbut-2-enoyl] (E)-2-methylbut-2-enoate is sourced from PubChem (CID 11063036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).