3-dodec-1-enyloxolane-2,5-dione;furan-2,5-dione

C20H28O6 — CID 174675000

IUPAC3-dodec-1-enyloxolane-2,5-dione;furan-2,5-dione
SMILESCCCCCCCCCCC=CC1CC(=O)OC1=O.O=C1C=CC(=O)O1
InChIInChI=1S/C16H26O3.C4H2O3/c1-2-3-4-5-6-7-8-9-10-11-12-14-13-15(17)19-16(14)18;5-3-1-2-4(6)7-3/h11-12,14H,2-10,13H2,1H3;1-2H
InChIKeyNVMTYAWAZOHYLV-UHFFFAOYSA-N
MW364.44 g/mol
LogP3.79
Rot. Bonds10

About 3-dodec-1-enyloxolane-2,5-dione;furan-2,5-dione

3-dodec-1-enyloxolane-2,5-dione;furan-2,5-dione (PubChem CID 174675000) has the molecular formula C20H28O6 and a molecular weight of 364.44 g/mol. Its IUPAC name is 3-dodec-1-enyloxolane-2,5-dione;furan-2,5-dione.

Molecular Properties

Compound Name3-dodec-1-enyloxolane-2,5-dione;furan-2,5-dione
PubChem CID174675000
Molecular FormulaC20H28O6
Molecular Weight364.44 g/mol
Exact Mass364.19
IUPAC Name3-dodec-1-enyloxolane-2,5-dione;furan-2,5-dione
SMILESCCCCCCCCCCC=CC1CC(=O)OC1=O.O=C1C=CC(=O)O1
InChIInChI=1S/C16H26O3.C4H2O3/c1-2-3-4-5-6-7-8-9-10-11-12-14-13-15(17)19-16(14)18;5-3-1-2-4(6)7-3/h11-12,14H,2-10,13H2,1H3;1-2H
InChIKeyNVMTYAWAZOHYLV-UHFFFAOYSA-N
XLogP3.79
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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'}

Analyze 3-dodec-1-enyloxolane-2,5-dione;furan-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(E)-dodec-1-enyl]oxolane-2,5-dione;3-[(E)-undec-1-enyl]oxolane-2,5-dione
CID 87423856
(3S)-3-[(E)-octadec-1-enyl]oxolane-2,5-dione
CID 98045012
3-oct-1-enyloxolane-2,5-dione
CID 24442
sodium;3-dodec-1-enyloxolane-2,5-dione;hydride
CID 174902776
acetyl acetate;3-oct-1-enyloxolane-2,5-dione
CID 173015921
4-docos-1-enyl-5-sulfanylideneoxolan-2-one
CID 139774463
3-icos-1-enyloxane-2,6-dione
CID 54346397
3-hexadec-1-enyloxane-2,6-dione
CID 54115063
3-oct-1-enyloxolane-2,5-dione;3-phenylprop-2-enal
CID 175584644
3-[(E)-10-methylundec-1-enyl]oxolane-2,5-dione
CID 6452460
furan-2,5-dione;oct-1-ene
CID 86738184
furan-2,5-dione;hexadec-1-ene
CID 87102971

Frequently Asked Questions

What is the IUPAC name of 3-dodec-1-enyloxolane-2,5-dione;furan-2,5-dione?
The IUPAC name of 3-dodec-1-enyloxolane-2,5-dione;furan-2,5-dione (CID 174675000) is 3-dodec-1-enyloxolane-2,5-dione;furan-2,5-dione.
What is the SMILES notation for 3-dodec-1-enyloxolane-2,5-dione;furan-2,5-dione?
The canonical SMILES for 3-dodec-1-enyloxolane-2,5-dione;furan-2,5-dione is CCCCCCCCCCC=CC1CC(=O)OC1=O.O=C1C=CC(=O)O1.
What is the InChIKey of 3-dodec-1-enyloxolane-2,5-dione;furan-2,5-dione?
The InChIKey is NVMTYAWAZOHYLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O3.C4H2O3/c1-2-3-4-5-6-7-8-9-10-11-12-14-13-15(17)19-16(14)18;5-3-1-2-4(6)7-3/h11-12,14H,2-10,13H2,1H3;1-2H.
What are the key properties of 3-dodec-1-enyloxolane-2,5-dione;furan-2,5-dione?
3-dodec-1-enyloxolane-2,5-dione;furan-2,5-dione has a molecular weight of 364.44 g/mol, XLogP of 3.79, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dodec-1-enyloxolane-2,5-dione;furan-2,5-dione is sourced from PubChem (CID 174675000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).