diethyl (2Z,4E)-2-hydroxyhexa-2,4-dienedioate

C10H14O5 — CID 54733811

IUPACdiethyl (2Z,4E)-2-hydroxyhexa-2,4-dienedioate
SMILESCCOC(=O)/C=C/C=C(\O)C(=O)OCC
InChIInChI=1S/C10H14O5/c1-3-14-9(12)7-5-6-8(11)10(13)15-4-2/h5-7,11H,3-4H2,1-2H3/b7-5+,8-6-
InChIKeyUCVYKFFLLNUPEQ-YMBWGVAGSA-N
MW214.22 g/mol
LogP1.11
Rot. Bonds5

About diethyl (2Z,4E)-2-hydroxyhexa-2,4-dienedioate

diethyl (2Z,4E)-2-hydroxyhexa-2,4-dienedioate (PubChem CID 54733811) has the molecular formula C10H14O5 and a molecular weight of 214.22 g/mol. Its IUPAC name is diethyl (2Z,4E)-2-hydroxyhexa-2,4-dienedioate.

Molecular Properties

Compound Namediethyl (2Z,4E)-2-hydroxyhexa-2,4-dienedioate
PubChem CID54733811
Molecular FormulaC10H14O5
Molecular Weight214.22 g/mol
Exact Mass214.08
IUPAC Namediethyl (2Z,4E)-2-hydroxyhexa-2,4-dienedioate
SMILESCCOC(=O)/C=C/C=C(\O)C(=O)OCC
InChIInChI=1S/C10H14O5/c1-3-14-9(12)7-5-6-8(11)10(13)15-4-2/h5-7,11H,3-4H2,1-2H3/b7-5+,8-6-
InChIKeyUCVYKFFLLNUPEQ-YMBWGVAGSA-N
XLogP1.11
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of diethyl (2Z,4E)-2-hydroxyhexa-2,4-dienedioate?
The IUPAC name of diethyl (2Z,4E)-2-hydroxyhexa-2,4-dienedioate (CID 54733811) is diethyl (2Z,4E)-2-hydroxyhexa-2,4-dienedioate.
What is the SMILES notation for diethyl (2Z,4E)-2-hydroxyhexa-2,4-dienedioate?
The canonical SMILES for diethyl (2Z,4E)-2-hydroxyhexa-2,4-dienedioate is CCOC(=O)/C=C/C=C(\O)C(=O)OCC.
What is the InChIKey of diethyl (2Z,4E)-2-hydroxyhexa-2,4-dienedioate?
The InChIKey is UCVYKFFLLNUPEQ-YMBWGVAGSA-N. The full InChI is InChI=1S/C10H14O5/c1-3-14-9(12)7-5-6-8(11)10(13)15-4-2/h5-7,11H,3-4H2,1-2H3/b7-5+,8-6-.
What are the key properties of diethyl (2Z,4E)-2-hydroxyhexa-2,4-dienedioate?
diethyl (2Z,4E)-2-hydroxyhexa-2,4-dienedioate has a molecular weight of 214.22 g/mol, XLogP of 1.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl (2Z,4E)-2-hydroxyhexa-2,4-dienedioate is sourced from PubChem (CID 54733811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).