(Z)-but-1-ene-1,2,3,4-tetracarboxylic acid

C8H8O8 — CID 87247031

IUPAC(Z)-but-1-ene-1,2,3,4-tetracarboxylic acid
SMILESO=C(O)/C=C(\C(=O)O)C(CC(=O)O)C(=O)O
InChIInChI=1S/C8H8O8/c9-5(10)1-3(7(13)14)4(8(15)16)2-6(11)12/h1,4H,2H2,(H,9,10)(H,11,12)(H,13,14)(H,15,16)/b3-1-
InChIKeyWTBFSURKXYHNRO-IWQZZHSRSA-N
MW232.14 g/mol
LogP-0.74
Rot. Bonds6

About (Z)-but-1-ene-1,2,3,4-tetracarboxylic acid

(Z)-but-1-ene-1,2,3,4-tetracarboxylic acid (PubChem CID 87247031) has the molecular formula C8H8O8 and a molecular weight of 232.14 g/mol. Its IUPAC name is (Z)-but-1-ene-1,2,3,4-tetracarboxylic acid.

Molecular Properties

Compound Name(Z)-but-1-ene-1,2,3,4-tetracarboxylic acid
PubChem CID87247031
Molecular FormulaC8H8O8
Molecular Weight232.14 g/mol
Exact Mass232.02
IUPAC Name(Z)-but-1-ene-1,2,3,4-tetracarboxylic acid
SMILESO=C(O)/C=C(\C(=O)O)C(CC(=O)O)C(=O)O
InChIInChI=1S/C8H8O8/c9-5(10)1-3(7(13)14)4(8(15)16)2-6(11)12/h1,4H,2H2,(H,9,10)(H,11,12)(H,13,14)(H,15,16)/b3-1-
InChIKeyWTBFSURKXYHNRO-IWQZZHSRSA-N
XLogP-0.74
TPSA149.20 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.14
LogP ≤ 5-0.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-but-1-ene-1,2,3,4-tetracarboxylic acid?
The IUPAC name of (Z)-but-1-ene-1,2,3,4-tetracarboxylic acid (CID 87247031) is (Z)-but-1-ene-1,2,3,4-tetracarboxylic acid.
What is the SMILES notation for (Z)-but-1-ene-1,2,3,4-tetracarboxylic acid?
The canonical SMILES for (Z)-but-1-ene-1,2,3,4-tetracarboxylic acid is O=C(O)/C=C(\C(=O)O)C(CC(=O)O)C(=O)O.
What is the InChIKey of (Z)-but-1-ene-1,2,3,4-tetracarboxylic acid?
The InChIKey is WTBFSURKXYHNRO-IWQZZHSRSA-N. The full InChI is InChI=1S/C8H8O8/c9-5(10)1-3(7(13)14)4(8(15)16)2-6(11)12/h1,4H,2H2,(H,9,10)(H,11,12)(H,13,14)(H,15,16)/b3-1-.
What are the key properties of (Z)-but-1-ene-1,2,3,4-tetracarboxylic acid?
(Z)-but-1-ene-1,2,3,4-tetracarboxylic acid has a molecular weight of 232.14 g/mol, XLogP of -0.74, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-but-1-ene-1,2,3,4-tetracarboxylic acid is sourced from PubChem (CID 87247031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).