dodec-1-ene-1,9-dione

C12H20O2 — CID 175604884

IUPACdodec-1-ene-1,9-dione
SMILESCCCC(=O)CCCCCCC=C=O
InChIInChI=1S/C12H20O2/c1-2-9-12(14)10-7-5-3-4-6-8-11-13/h8H,2-7,9-10H2,1H3
InChIKeyHDLYPZUVDJLMOQ-UHFFFAOYSA-N
MW196.29 g/mol
LogP3.08
Rot. Bonds9

About dodec-1-ene-1,9-dione

dodec-1-ene-1,9-dione (PubChem CID 175604884) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is dodec-1-ene-1,9-dione.

Molecular Properties

Compound Namedodec-1-ene-1,9-dione
PubChem CID175604884
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Namedodec-1-ene-1,9-dione
SMILESCCCC(=O)CCCCCCC=C=O
InChIInChI=1S/C12H20O2/c1-2-9-12(14)10-7-5-3-4-6-8-11-13/h8H,2-7,9-10H2,1H3
InChIKeyHDLYPZUVDJLMOQ-UHFFFAOYSA-N
XLogP3.08
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'ketene', 'substructure': 'N/A'}

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Related Compounds

tetracos-1-ene-1,13-dione
CID 173037272
undec-1-ene-1,9-dione
CID 175425395
tridecane-4,10-dione
CID 158766358
19-oxodocosanal
CID 54396259
octadecan-4-one
CID 551672
icosane-4,15-dione
CID 123287171
(12Z,15Z)-henicosa-12,15-dien-4-one
CID 10946721
9-oxododec-2-enal
CID 175604885
tridecane-4,9-dione
CID 166698782
(E)-triacont-15-ene-8,23-dione
CID 11849500
(11Z)-tetradeca-11,13-dien-4-one
CID 141483115
9-oxotetradecanal
CID 13272684

Frequently Asked Questions

What is the IUPAC name of dodec-1-ene-1,9-dione?
The IUPAC name of dodec-1-ene-1,9-dione (CID 175604884) is dodec-1-ene-1,9-dione.
What is the SMILES notation for dodec-1-ene-1,9-dione?
The canonical SMILES for dodec-1-ene-1,9-dione is CCCC(=O)CCCCCCC=C=O.
What is the InChIKey of dodec-1-ene-1,9-dione?
The InChIKey is HDLYPZUVDJLMOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c1-2-9-12(14)10-7-5-3-4-6-8-11-13/h8H,2-7,9-10H2,1H3.
What are the key properties of dodec-1-ene-1,9-dione?
dodec-1-ene-1,9-dione has a molecular weight of 196.29 g/mol, XLogP of 3.08, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dodec-1-ene-1,9-dione is sourced from PubChem (CID 175604884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).