tetracos-1-ene-1,13-dione

C24H44O2 — CID 173037272

IUPACtetracos-1-ene-1,13-dione
SMILESCCCCCCCCCCCC(=O)CCCCCCCCCCC=C=O
InChIInChI=1S/C24H44O2/c1-2-3-4-5-6-9-12-15-18-21-24(26)22-19-16-13-10-7-8-11-14-17-20-23-25/h20H,2-19,21-22H2,1H3
InChIKeyYHAXTJCLBBUIRX-UHFFFAOYSA-N
MW364.61 g/mol
LogP7.77
Rot. Bonds21

About tetracos-1-ene-1,13-dione

tetracos-1-ene-1,13-dione (PubChem CID 173037272) has the molecular formula C24H44O2 and a molecular weight of 364.61 g/mol. Its IUPAC name is tetracos-1-ene-1,13-dione.

Molecular Properties

Compound Nametetracos-1-ene-1,13-dione
PubChem CID173037272
Molecular FormulaC24H44O2
Molecular Weight364.61 g/mol
Exact Mass364.33
IUPAC Nametetracos-1-ene-1,13-dione
SMILESCCCCCCCCCCCC(=O)CCCCCCCCCCC=C=O
InChIInChI=1S/C24H44O2/c1-2-3-4-5-6-9-12-15-18-21-24(26)22-19-16-13-10-7-8-11-14-17-20-23-25/h20H,2-19,21-22H2,1H3
InChIKeyYHAXTJCLBBUIRX-UHFFFAOYSA-N
XLogP7.77
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds21
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.61
LogP ≤ 57.77
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

dodec-1-ene-1,9-dione
CID 175604884
undec-1-ene-1,9-dione
CID 175425395
(E)-triacont-15-ene-8,23-dione
CID 11849500
pentacosane-7,19-dione
CID 139254510
nonadecan-7-one
CID 12913434
nonatriacontane-8,29-dione
CID 150237018
pentadecan-8-one
CID 13162
tricosan-12-one
CID 10888
octacosan-8-one
CID 86052342
pentacosan-7-one
CID 54551687
9-oxotetradecanal
CID 13272684
dodecan-5-one
CID 29771

Frequently Asked Questions

What is the IUPAC name of tetracos-1-ene-1,13-dione?
The IUPAC name of tetracos-1-ene-1,13-dione (CID 173037272) is tetracos-1-ene-1,13-dione.
What is the SMILES notation for tetracos-1-ene-1,13-dione?
The canonical SMILES for tetracos-1-ene-1,13-dione is CCCCCCCCCCCC(=O)CCCCCCCCCCC=C=O.
What is the InChIKey of tetracos-1-ene-1,13-dione?
The InChIKey is YHAXTJCLBBUIRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H44O2/c1-2-3-4-5-6-9-12-15-18-21-24(26)22-19-16-13-10-7-8-11-14-17-20-23-25/h20H,2-19,21-22H2,1H3.
What are the key properties of tetracos-1-ene-1,13-dione?
tetracos-1-ene-1,13-dione has a molecular weight of 364.61 g/mol, XLogP of 7.77, 21 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tetracos-1-ene-1,13-dione is sourced from PubChem (CID 173037272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).