1,4-bis(ethenyl)benzene;furan-2,5-dione

C14H12O3 — CID 174874439

IUPAC1,4-bis(ethenyl)benzene;furan-2,5-dione
SMILESC=Cc1ccc(C=C)cc1.O=C1C=CC(=O)O1
InChIInChI=1S/C10H10.C4H2O3/c1-3-9-5-7-10(4-2)8-6-9;5-3-1-2-4(6)7-3/h3-8H,1-2H2;1-2H
InChIKeyPMJMRFCPHKCDQP-UHFFFAOYSA-N
MW228.25 g/mol
LogP2.60
Rot. Bonds2

About 1,4-bis(ethenyl)benzene;furan-2,5-dione

1,4-bis(ethenyl)benzene;furan-2,5-dione (PubChem CID 174874439) has the molecular formula C14H12O3 and a molecular weight of 228.25 g/mol. Its IUPAC name is 1,4-bis(ethenyl)benzene;furan-2,5-dione.

Molecular Properties

Compound Name1,4-bis(ethenyl)benzene;furan-2,5-dione
PubChem CID174874439
Molecular FormulaC14H12O3
Molecular Weight228.25 g/mol
Exact Mass228.08
IUPAC Name1,4-bis(ethenyl)benzene;furan-2,5-dione
SMILESC=Cc1ccc(C=C)cc1.O=C1C=CC(=O)O1
InChIInChI=1S/C10H10.C4H2O3/c1-3-9-5-7-10(4-2)8-6-9;5-3-1-2-4(6)7-3/h3-8H,1-2H2;1-2H
InChIKeyPMJMRFCPHKCDQP-UHFFFAOYSA-N
XLogP2.60
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 160683810
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CID 160806423
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CID 90659509
cumene;furan-2,5-dione;propan-1-ol;styrene
CID 156593870
CID 172698071
CID 172698071
disodium;furan-2,5-dione;hydride
CID 174894617
sodium;furan-2,5-dione;prop-2-enoate
CID 23684593
1-ethenylnaphthalene;furan-2,5-dione
CID 174917000
4,5-dibromo-5-phenylpenta-2,4-dienenitrile;furan-2,5-dione;styrene
CID 160825170
1,4-bis(ethenyl)benzene;isocyanic acid
CID 174912365
1,4-bis(ethenyl)benzene;urea
CID 18766675
bis(1-ethenyl-4-methylbenzene);formaldehyde
CID 144930982

Frequently Asked Questions

What is the IUPAC name of 1,4-bis(ethenyl)benzene;furan-2,5-dione?
The IUPAC name of 1,4-bis(ethenyl)benzene;furan-2,5-dione (CID 174874439) is 1,4-bis(ethenyl)benzene;furan-2,5-dione.
What is the SMILES notation for 1,4-bis(ethenyl)benzene;furan-2,5-dione?
The canonical SMILES for 1,4-bis(ethenyl)benzene;furan-2,5-dione is C=Cc1ccc(C=C)cc1.O=C1C=CC(=O)O1.
What is the InChIKey of 1,4-bis(ethenyl)benzene;furan-2,5-dione?
The InChIKey is PMJMRFCPHKCDQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10.C4H2O3/c1-3-9-5-7-10(4-2)8-6-9;5-3-1-2-4(6)7-3/h3-8H,1-2H2;1-2H.
What are the key properties of 1,4-bis(ethenyl)benzene;furan-2,5-dione?
1,4-bis(ethenyl)benzene;furan-2,5-dione has a molecular weight of 228.25 g/mol, XLogP of 2.60, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(ethenyl)benzene;furan-2,5-dione is sourced from PubChem (CID 174874439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).