bis(2-ethoxyethyl) (Z)-but-2-enedioate

C12H20O6 — CID 11054392

IUPACbis(2-ethoxyethyl) (Z)-but-2-enedioate
SMILESCCOCCOC(=O)/C=C\C(=O)OCCOCC
InChIInChI=1S/C12H20O6/c1-3-15-7-9-17-11(13)5-6-12(14)18-10-8-16-4-2/h5-6H,3-4,7-10H2,1-2H3/b6-5-
InChIKeyFAOJZHMRXJJQCB-WAYWQWQTSA-N
MW260.29 g/mol
LogP0.70
Rot. Bonds10

About bis(2-ethoxyethyl) (Z)-but-2-enedioate

bis(2-ethoxyethyl) (Z)-but-2-enedioate (PubChem CID 11054392) has the molecular formula C12H20O6 and a molecular weight of 260.29 g/mol. Its IUPAC name is bis(2-ethoxyethyl) (Z)-but-2-enedioate.

Molecular Properties

Compound Namebis(2-ethoxyethyl) (Z)-but-2-enedioate
PubChem CID11054392
Molecular FormulaC12H20O6
Molecular Weight260.29 g/mol
Exact Mass260.13
IUPAC Namebis(2-ethoxyethyl) (Z)-but-2-enedioate
SMILESCCOCCOC(=O)/C=C\C(=O)OCCOCC
InChIInChI=1S/C12H20O6/c1-3-15-7-9-17-11(13)5-6-12(14)18-10-8-16-4-2/h5-6H,3-4,7-10H2,1-2H3/b6-5-
InChIKeyFAOJZHMRXJJQCB-WAYWQWQTSA-N
XLogP0.70
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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(2-ethoxyethyl) (Z)-but-2-enedioate?
The IUPAC name of bis(2-ethoxyethyl) (Z)-but-2-enedioate (CID 11054392) is bis(2-ethoxyethyl) (Z)-but-2-enedioate.
What is the SMILES notation for bis(2-ethoxyethyl) (Z)-but-2-enedioate?
The canonical SMILES for bis(2-ethoxyethyl) (Z)-but-2-enedioate is CCOCCOC(=O)/C=C\C(=O)OCCOCC.
What is the InChIKey of bis(2-ethoxyethyl) (Z)-but-2-enedioate?
The InChIKey is FAOJZHMRXJJQCB-WAYWQWQTSA-N. The full InChI is InChI=1S/C12H20O6/c1-3-15-7-9-17-11(13)5-6-12(14)18-10-8-16-4-2/h5-6H,3-4,7-10H2,1-2H3/b6-5-.
What are the key properties of bis(2-ethoxyethyl) (Z)-but-2-enedioate?
bis(2-ethoxyethyl) (Z)-but-2-enedioate has a molecular weight of 260.29 g/mol, XLogP of 0.70, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-ethoxyethyl) (Z)-but-2-enedioate is sourced from PubChem (CID 11054392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).