furan-2,5-dione;oct-1-ene

C12H18O3 — CID 86738184

IUPACfuran-2,5-dione;oct-1-ene
SMILESC=CCCCCCC.O=C1C=CC(=O)O1
InChIInChI=1S/C8H16.C4H2O3/c1-3-5-7-8-6-4-2;5-3-1-2-4(6)7-3/h3H,1,4-8H2,2H3;1-2H
InChIKeyNKATYJVNTDFYDX-UHFFFAOYSA-N
MW210.27 g/mol
LogP2.77
Rot. Bonds5

About furan-2,5-dione;oct-1-ene

furan-2,5-dione;oct-1-ene (PubChem CID 86738184) has the molecular formula C12H18O3 and a molecular weight of 210.27 g/mol. Its IUPAC name is furan-2,5-dione;oct-1-ene.

Molecular Properties

Compound Namefuran-2,5-dione;oct-1-ene
PubChem CID86738184
Molecular FormulaC12H18O3
Molecular Weight210.27 g/mol
Exact Mass210.13
IUPAC Namefuran-2,5-dione;oct-1-ene
SMILESC=CCCCCCC.O=C1C=CC(=O)O1
InChIInChI=1S/C8H16.C4H2O3/c1-3-5-7-8-6-4-2;5-3-1-2-4(6)7-3/h3H,1,4-8H2,2H3;1-2H
InChIKeyNKATYJVNTDFYDX-UHFFFAOYSA-N
XLogP2.77
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

furan-2,5-dione;hexadec-1-ene
CID 87102971
1-ethenoxyoctadecane;furan-2,5-dione
CID 86676835
octadecane;octadec-1-ene
CID 162018238
non-1-ene
CID 141296734
hexane;octadec-1-ene
CID 175577514
octadeca-1,17-diene;tetradec-1-ene
CID 173070986
octadec-1-ene;tetradec-1-ene
CID 158470925
dec-1-ene;dodec-1-ene;tetradec-1-ene
CID 159177706
oct-1-ene;hydrobromide
CID 88838560
oct-1-ene;tetrahydrochloride
CID 172847494
dec-1-ene;ethene
CID 161044144
dodec-1-ene;ethene
CID 158697165

Frequently Asked Questions

What is the IUPAC name of furan-2,5-dione;oct-1-ene?
The IUPAC name of furan-2,5-dione;oct-1-ene (CID 86738184) is furan-2,5-dione;oct-1-ene.
What is the SMILES notation for furan-2,5-dione;oct-1-ene?
The canonical SMILES for furan-2,5-dione;oct-1-ene is C=CCCCCCC.O=C1C=CC(=O)O1.
What is the InChIKey of furan-2,5-dione;oct-1-ene?
The InChIKey is NKATYJVNTDFYDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16.C4H2O3/c1-3-5-7-8-6-4-2;5-3-1-2-4(6)7-3/h3H,1,4-8H2,2H3;1-2H.
What are the key properties of furan-2,5-dione;oct-1-ene?
furan-2,5-dione;oct-1-ene has a molecular weight of 210.27 g/mol, XLogP of 2.77, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2,5-dione;oct-1-ene is sourced from PubChem (CID 86738184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).