5-dodec-1-enyl-2-benzofuran-1,3-dione

C20H26O3 — CID 173109553

IUPAC5-dodec-1-enyl-2-benzofuran-1,3-dione
SMILESCCCCCCCCCCC=Cc1ccc2c(c1)C(=O)OC2=O
InChIInChI=1S/C20H26O3/c1-2-3-4-5-6-7-8-9-10-11-12-16-13-14-17-18(15-16)20(22)23-19(17)21/h11-15H,2-10H2,1H3
InChIKeyRCXSUKZWFWZFDQ-UHFFFAOYSA-N
MW314.43 g/mol
LogP5.54
Rot. Bonds10

About 5-dodec-1-enyl-2-benzofuran-1,3-dione

5-dodec-1-enyl-2-benzofuran-1,3-dione (PubChem CID 173109553) has the molecular formula C20H26O3 and a molecular weight of 314.43 g/mol. Its IUPAC name is 5-dodec-1-enyl-2-benzofuran-1,3-dione.

Molecular Properties

Compound Name5-dodec-1-enyl-2-benzofuran-1,3-dione
PubChem CID173109553
Molecular FormulaC20H26O3
Molecular Weight314.43 g/mol
Exact Mass314.19
IUPAC Name5-dodec-1-enyl-2-benzofuran-1,3-dione
SMILESCCCCCCCCCCC=Cc1ccc2c(c1)C(=O)OC2=O
InChIInChI=1S/C20H26O3/c1-2-3-4-5-6-7-8-9-10-11-12-16-13-14-17-18(15-16)20(22)23-19(17)21/h11-15H,2-10H2,1H3
InChIKeyRCXSUKZWFWZFDQ-UHFFFAOYSA-N
XLogP5.54
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.43
LogP ≤ 55.54
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'}

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Related Compounds

5-(3-bromoprop-1-enyl)-2-benzofuran-1,3-dione
CID 169476152
4-[(E)-oct-1-enyl]-2-benzofuran-1,3-dione
CID 173139283
2-[(E)-docos-1-enyl]naphthalene
CID 101307759
2-[(E)-dodec-1-enyl]naphthalene
CID 101304399
[(E)-octadec-1-enyl]benzene
CID 22722345
4-[(E)-hept-1-enyl]benzene-1,2-diol
CID 19968505
5-hexoxy-2-benzofuran-1,3-dione
CID 88840475
2-(12-sulfanyldodec-1-enyl)anthracene-9,10-dione
CID 71375283
3-[(E)-dec-1-enyl]benzoic acid
CID 14233876
1-bromo-4-[(E)-dec-1-enyl]benzene
CID 102523301
[3-[(E)-oct-1-enyl]phenyl]methanol
CID 11298937
1-decyl-4-hept-1-enylbenzene
CID 173045869

Frequently Asked Questions

What is the IUPAC name of 5-dodec-1-enyl-2-benzofuran-1,3-dione?
The IUPAC name of 5-dodec-1-enyl-2-benzofuran-1,3-dione (CID 173109553) is 5-dodec-1-enyl-2-benzofuran-1,3-dione.
What is the SMILES notation for 5-dodec-1-enyl-2-benzofuran-1,3-dione?
The canonical SMILES for 5-dodec-1-enyl-2-benzofuran-1,3-dione is CCCCCCCCCCC=Cc1ccc2c(c1)C(=O)OC2=O.
What is the InChIKey of 5-dodec-1-enyl-2-benzofuran-1,3-dione?
The InChIKey is RCXSUKZWFWZFDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26O3/c1-2-3-4-5-6-7-8-9-10-11-12-16-13-14-17-18(15-16)20(22)23-19(17)21/h11-15H,2-10H2,1H3.
What are the key properties of 5-dodec-1-enyl-2-benzofuran-1,3-dione?
5-dodec-1-enyl-2-benzofuran-1,3-dione has a molecular weight of 314.43 g/mol, XLogP of 5.54, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-dodec-1-enyl-2-benzofuran-1,3-dione is sourced from PubChem (CID 173109553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).