(E)-3-prop-2-enoyloxyprop-2-enoic acid

C6H6O4 — CID 14647351

IUPAC(E)-3-prop-2-enoyloxyprop-2-enoic acid
SMILESC=CC(=O)O/C=C/C(=O)O
InChIInChI=1S/C6H6O4/c1-2-6(9)10-4-3-5(7)8/h2-4H,1H2,(H,7,8)/b4-3+
InChIKeySWYBJLRZPSNABC-ONEGZZNKSA-N
MW142.11 g/mol
LogP0.31
Rot. Bonds3

About (E)-3-prop-2-enoyloxyprop-2-enoic acid

(E)-3-prop-2-enoyloxyprop-2-enoic acid (PubChem CID 14647351) has the molecular formula C6H6O4 and a molecular weight of 142.11 g/mol. Its IUPAC name is (E)-3-prop-2-enoyloxyprop-2-enoic acid.

Molecular Properties

Compound Name(E)-3-prop-2-enoyloxyprop-2-enoic acid
PubChem CID14647351
Molecular FormulaC6H6O4
Molecular Weight142.11 g/mol
Exact Mass142.03
IUPAC Name(E)-3-prop-2-enoyloxyprop-2-enoic acid
SMILESC=CC(=O)O/C=C/C(=O)O
InChIInChI=1S/C6H6O4/c1-2-6(9)10-4-3-5(7)8/h2-4H,1H2,(H,7,8)/b4-3+
InChIKeySWYBJLRZPSNABC-ONEGZZNKSA-N
XLogP0.31
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.11
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(Z)-but-2-enedioic acid;bis(methyl prop-2-enoate)
CID 174373219
3-oxoprop-1-enyl prop-2-enoate
CID 54470635
(Z)-4-[(1E)-buta-1,3-dienoxy]-4-oxobut-2-enoic acid
CID 141223387
bis(2-prop-2-enoyloxyethenyl) butanedioate
CID 175454697
trimethyl(2-prop-2-enoyloxyethenyl)azanium
CID 171617100
4-hydroxybut-1-enyl prop-2-enoate
CID 141007650
(3,3-dihydroxy-3-methoxyprop-1-enyl) prop-2-enoate
CID 175477221
but-2-enedioic acid;2-hydroxyethyl prop-2-enoate
CID 173025199
acetic acid;acetyl acetate;acetyl prop-2-enoate;prop-2-enoic acid;prop-2-enoyl prop-2-enoate
CID 174719964
prop-2-eneperoxoic acid;prop-2-enoic acid
CID 18459501
4-oxo-4-(4-prop-2-enoyloxybutoxy)but-2-enoic acid
CID 73413412
calcium;(Z)-but-2-enedioic acid;hydride;prop-2-enoic acid
CID 175078165

Frequently Asked Questions

What is the IUPAC name of (E)-3-prop-2-enoyloxyprop-2-enoic acid?
The IUPAC name of (E)-3-prop-2-enoyloxyprop-2-enoic acid (CID 14647351) is (E)-3-prop-2-enoyloxyprop-2-enoic acid.
What is the SMILES notation for (E)-3-prop-2-enoyloxyprop-2-enoic acid?
The canonical SMILES for (E)-3-prop-2-enoyloxyprop-2-enoic acid is C=CC(=O)O/C=C/C(=O)O.
What is the InChIKey of (E)-3-prop-2-enoyloxyprop-2-enoic acid?
The InChIKey is SWYBJLRZPSNABC-ONEGZZNKSA-N. The full InChI is InChI=1S/C6H6O4/c1-2-6(9)10-4-3-5(7)8/h2-4H,1H2,(H,7,8)/b4-3+.
What are the key properties of (E)-3-prop-2-enoyloxyprop-2-enoic acid?
(E)-3-prop-2-enoyloxyprop-2-enoic acid has a molecular weight of 142.11 g/mol, XLogP of 0.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-prop-2-enoyloxyprop-2-enoic acid is sourced from PubChem (CID 14647351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).