furan-2,5-dione;hexa-2,4-diene

C10H12O3 — CID 175511286

IUPACfuran-2,5-dione;hexa-2,4-diene
SMILESCC=CC=CC.O=C1C=CC(=O)O1
InChIInChI=1S/C6H10.C4H2O3/c1-3-5-6-4-2;5-3-1-2-4(6)7-3/h3-6H,1-2H3;1-2H
InChIKeyWHABPUFUKLTXEI-UHFFFAOYSA-N
MW180.20 g/mol
LogP1.76
Rot. Bonds1

About furan-2,5-dione;hexa-2,4-diene

furan-2,5-dione;hexa-2,4-diene (PubChem CID 175511286) has the molecular formula C10H12O3 and a molecular weight of 180.20 g/mol. Its IUPAC name is furan-2,5-dione;hexa-2,4-diene.

Molecular Properties

Compound Namefuran-2,5-dione;hexa-2,4-diene
PubChem CID175511286
Molecular FormulaC10H12O3
Molecular Weight180.20 g/mol
Exact Mass180.08
IUPAC Namefuran-2,5-dione;hexa-2,4-diene
SMILESCC=CC=CC.O=C1C=CC(=O)O1
InChIInChI=1S/C6H10.C4H2O3/c1-3-5-6-4-2;5-3-1-2-4(6)7-3/h3-6H,1-2H3;1-2H
InChIKeyWHABPUFUKLTXEI-UHFFFAOYSA-N
XLogP1.76
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.20
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

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CID 90659509
disodium;furan-2,5-dione;hydride
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furan-2,5-dione;propan-2-one
CID 18405815
furan-2,5-dione;2-methylbut-2-enoic acid
CID 173069804
ethenylsilane;furan-2,5-dione
CID 160806423
(5Z,12Z)-1,3,8,10-tetraoxacyclotetradeca-5,12-diene-2,4,7,9,11,14-hexone
CID 151006147
furan-2,5-dione;2,2,2-trichloroacetaldehyde
CID 159081208
1,4-bis(ethenyl)benzene;furan-2,5-dione
CID 174874439
(4E)-hexa-2,4-diene
CID 22435466
CID 172698071
CID 172698071
furan-2,5-dione;N-propylpropan-1-amine
CID 159497181
N,N-dimethylprop-2-enamide;furan-2,5-dione
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Frequently Asked Questions

What is the IUPAC name of furan-2,5-dione;hexa-2,4-diene?
The IUPAC name of furan-2,5-dione;hexa-2,4-diene (CID 175511286) is furan-2,5-dione;hexa-2,4-diene.
What is the SMILES notation for furan-2,5-dione;hexa-2,4-diene?
The canonical SMILES for furan-2,5-dione;hexa-2,4-diene is CC=CC=CC.O=C1C=CC(=O)O1.
What is the InChIKey of furan-2,5-dione;hexa-2,4-diene?
The InChIKey is WHABPUFUKLTXEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10.C4H2O3/c1-3-5-6-4-2;5-3-1-2-4(6)7-3/h3-6H,1-2H3;1-2H.
What are the key properties of furan-2,5-dione;hexa-2,4-diene?
furan-2,5-dione;hexa-2,4-diene has a molecular weight of 180.20 g/mol, XLogP of 1.76, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2,5-dione;hexa-2,4-diene is sourced from PubChem (CID 175511286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).