ethene;furan-2,5-dione;styrene

C14H14O3 — CID 160683810

IUPACethene;furan-2,5-dione;styrene
SMILESC=C.C=Cc1ccccc1.O=C1C=CC(=O)O1
InChIInChI=1S/C8H8.C4H2O3.C2H4/c1-2-8-6-4-3-5-7-8;5-3-1-2-4(6)7-3;1-2/h2-7H,1H2;1-2H;1-2H2
InChIKeyROMMMSUGTWGWIF-UHFFFAOYSA-N
MW230.26 g/mol
LogP2.76
Rot. Bonds1

About ethene;furan-2,5-dione;styrene

ethene;furan-2,5-dione;styrene (PubChem CID 160683810) has the molecular formula C14H14O3 and a molecular weight of 230.26 g/mol. Its IUPAC name is ethene;furan-2,5-dione;styrene.

Molecular Properties

Compound Nameethene;furan-2,5-dione;styrene
PubChem CID160683810
Molecular FormulaC14H14O3
Molecular Weight230.26 g/mol
Exact Mass230.09
IUPAC Nameethene;furan-2,5-dione;styrene
SMILESC=C.C=Cc1ccccc1.O=C1C=CC(=O)O1
InChIInChI=1S/C8H8.C4H2O3.C2H4/c1-2-8-6-4-3-5-7-8;5-3-1-2-4(6)7-3;1-2/h2-7H,1H2;1-2H;1-2H2
InChIKeyROMMMSUGTWGWIF-UHFFFAOYSA-N
XLogP2.76
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethene;furan-2,5-dione;styrene?
The IUPAC name of ethene;furan-2,5-dione;styrene (CID 160683810) is ethene;furan-2,5-dione;styrene.
What is the SMILES notation for ethene;furan-2,5-dione;styrene?
The canonical SMILES for ethene;furan-2,5-dione;styrene is C=C.C=Cc1ccccc1.O=C1C=CC(=O)O1.
What is the InChIKey of ethene;furan-2,5-dione;styrene?
The InChIKey is ROMMMSUGTWGWIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8.C4H2O3.C2H4/c1-2-8-6-4-3-5-7-8;5-3-1-2-4(6)7-3;1-2/h2-7H,1H2;1-2H;1-2H2.
What are the key properties of ethene;furan-2,5-dione;styrene?
ethene;furan-2,5-dione;styrene has a molecular weight of 230.26 g/mol, XLogP of 2.76, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;furan-2,5-dione;styrene is sourced from PubChem (CID 160683810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).