(Z)-2,3-bis[(E)-prop-1-enyl]but-2-enedioic acid

C10H12O4 — CID 23369179

IUPAC(Z)-2,3-bis[(E)-prop-1-enyl]but-2-enedioic acid
SMILESC/C=C/C(C(=O)O)=C(\C=C\C)C(=O)O
InChIInChI=1S/C10H12O4/c1-3-5-7(9(11)12)8(6-4-2)10(13)14/h3-6H,1-2H3,(H,11,12)(H,13,14)/b5-3+,6-4+,8-7-
InChIKeyPDAOBGQEEZUTLE-VFHXAANISA-N
MW196.20 g/mol
LogP1.60
Rot. Bonds4

About (Z)-2,3-bis[(E)-prop-1-enyl]but-2-enedioic acid

(Z)-2,3-bis[(E)-prop-1-enyl]but-2-enedioic acid (PubChem CID 23369179) has the molecular formula C10H12O4 and a molecular weight of 196.20 g/mol. Its IUPAC name is (Z)-2,3-bis[(E)-prop-1-enyl]but-2-enedioic acid.

Molecular Properties

Compound Name(Z)-2,3-bis[(E)-prop-1-enyl]but-2-enedioic acid
PubChem CID23369179
Molecular FormulaC10H12O4
Molecular Weight196.20 g/mol
Exact Mass196.07
IUPAC Name(Z)-2,3-bis[(E)-prop-1-enyl]but-2-enedioic acid
SMILESC/C=C/C(C(=O)O)=C(\C=C\C)C(=O)O
InChIInChI=1S/C10H12O4/c1-3-5-7(9(11)12)8(6-4-2)10(13)14/h3-6H,1-2H3,(H,11,12)(H,13,14)/b5-3+,6-4+,8-7-
InChIKeyPDAOBGQEEZUTLE-VFHXAANISA-N
XLogP1.60
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.20
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-Methylglutaconic acid
CID 1551553
Crocetin
CID 5281232
Norbixin
CID 5281249
(2E)-2-Methyl-2-pentenedioic acid
CID 6368126
(2E,4E,6E,8E,10E,12E,14E,16E,18E,20E,22E)-2,6,10,15,19,23-hexamethyltetracosa-2,4,6,8,10,12,14,16,18,20,22-undecaenedioic acid
CID 52940250
(E)-2,6-Dimethyl-2,5-heptadienoic acid
CID 15885837
Thujic acid
CID 72620
4,8,13,17-Tetramethylicosa-2,4,6,8,10,12,14,16,18-nonaenedioic acid
CID 92801
3-Carboxymuconic acid, cis-
CID 5280404
Z-3-Methylpent-2-en-1,5-dioic acid
CID 911525
cis-Norbixin
CID 6537492
(Z)-2-methylpent-2-enedioic acid
CID 5787763

Frequently Asked Questions

What is the IUPAC name of (Z)-2,3-bis[(E)-prop-1-enyl]but-2-enedioic acid?
The IUPAC name of (Z)-2,3-bis[(E)-prop-1-enyl]but-2-enedioic acid (CID 23369179) is (Z)-2,3-bis[(E)-prop-1-enyl]but-2-enedioic acid.
What is the SMILES notation for (Z)-2,3-bis[(E)-prop-1-enyl]but-2-enedioic acid?
The canonical SMILES for (Z)-2,3-bis[(E)-prop-1-enyl]but-2-enedioic acid is C/C=C/C(C(=O)O)=C(\C=C\C)C(=O)O.
What is the InChIKey of (Z)-2,3-bis[(E)-prop-1-enyl]but-2-enedioic acid?
The InChIKey is PDAOBGQEEZUTLE-VFHXAANISA-N. The full InChI is InChI=1S/C10H12O4/c1-3-5-7(9(11)12)8(6-4-2)10(13)14/h3-6H,1-2H3,(H,11,12)(H,13,14)/b5-3+,6-4+,8-7-.
What are the key properties of (Z)-2,3-bis[(E)-prop-1-enyl]but-2-enedioic acid?
(Z)-2,3-bis[(E)-prop-1-enyl]but-2-enedioic acid has a molecular weight of 196.20 g/mol, XLogP of 1.60, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2,3-bis[(E)-prop-1-enyl]but-2-enedioic acid is sourced from PubChem (CID 23369179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).