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

C10H16O6 — CID 5462730

IUPACbis(2-methoxyethyl) (Z)-but-2-enedioate
SMILESCOCCOC(=O)/C=C\C(=O)OCCOC
InChIInChI=1S/C10H16O6/c1-13-5-7-15-9(11)3-4-10(12)16-8-6-14-2/h3-4H,5-8H2,1-2H3/b4-3-
InChIKeyINJVHPRSHKTTBD-ARJAWSKDSA-N
MW232.23 g/mol
LogP-0.08
Rot. Bonds8

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

bis(2-methoxyethyl) (Z)-but-2-enedioate (PubChem CID 5462730) has the molecular formula C10H16O6 and a molecular weight of 232.23 g/mol. Its IUPAC name is bis(2-methoxyethyl) (Z)-but-2-enedioate.

Molecular Properties

Compound Namebis(2-methoxyethyl) (Z)-but-2-enedioate
PubChem CID5462730
Molecular FormulaC10H16O6
Molecular Weight232.23 g/mol
Exact Mass232.09
IUPAC Namebis(2-methoxyethyl) (Z)-but-2-enedioate
SMILESCOCCOC(=O)/C=C\C(=O)OCCOC
InChIInChI=1S/C10H16O6/c1-13-5-7-15-9(11)3-4-10(12)16-8-6-14-2/h3-4H,5-8H2,1-2H3/b4-3-
InChIKeyINJVHPRSHKTTBD-ARJAWSKDSA-N
XLogP-0.08
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.23
LogP ≤ 5-0.08
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-methoxyethyl) (Z)-but-2-enedioate?
The IUPAC name of bis(2-methoxyethyl) (Z)-but-2-enedioate (CID 5462730) is bis(2-methoxyethyl) (Z)-but-2-enedioate.
What is the SMILES notation for bis(2-methoxyethyl) (Z)-but-2-enedioate?
The canonical SMILES for bis(2-methoxyethyl) (Z)-but-2-enedioate is COCCOC(=O)/C=C\C(=O)OCCOC.
What is the InChIKey of bis(2-methoxyethyl) (Z)-but-2-enedioate?
The InChIKey is INJVHPRSHKTTBD-ARJAWSKDSA-N. The full InChI is InChI=1S/C10H16O6/c1-13-5-7-15-9(11)3-4-10(12)16-8-6-14-2/h3-4H,5-8H2,1-2H3/b4-3-.
What are the key properties of bis(2-methoxyethyl) (Z)-but-2-enedioate?
bis(2-methoxyethyl) (Z)-but-2-enedioate has a molecular weight of 232.23 g/mol, XLogP of -0.08, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-methoxyethyl) (Z)-but-2-enedioate is sourced from PubChem (CID 5462730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).