10-(5,8,11-trioxododec-1-en-3-yloxy)dodec-11-ene-2,5,8-trione

C24H34O7 — CID 175457452

IUPAC10-(5,8,11-trioxododec-1-en-3-yloxy)dodec-11-ene-2,5,8-trione
SMILESC=CC(CC(=O)CCC(=O)CCC(C)=O)OC(C=C)CC(=O)CCC(=O)CCC(C)=O
InChIInChI=1S/C24H34O7/c1-5-23(15-21(29)13-11-19(27)9-7-17(3)25)31-24(6-2)16-22(30)14-12-20(28)10-8-18(4)26/h5-6,23-24H,1-2,7-16H2,3-4H3
InChIKeyQEMJQJJJWXEIGW-UHFFFAOYSA-N
MW434.53 g/mol
LogP3.47
Rot. Bonds20

About 10-(5,8,11-trioxododec-1-en-3-yloxy)dodec-11-ene-2,5,8-trione

10-(5,8,11-trioxododec-1-en-3-yloxy)dodec-11-ene-2,5,8-trione (PubChem CID 175457452) has the molecular formula C24H34O7 and a molecular weight of 434.53 g/mol. Its IUPAC name is 10-(5,8,11-trioxododec-1-en-3-yloxy)dodec-11-ene-2,5,8-trione.

Molecular Properties

Compound Name10-(5,8,11-trioxododec-1-en-3-yloxy)dodec-11-ene-2,5,8-trione
PubChem CID175457452
Molecular FormulaC24H34O7
Molecular Weight434.53 g/mol
Exact Mass434.23
IUPAC Name10-(5,8,11-trioxododec-1-en-3-yloxy)dodec-11-ene-2,5,8-trione
SMILESC=CC(CC(=O)CCC(=O)CCC(C)=O)OC(C=C)CC(=O)CCC(=O)CCC(C)=O
InChIInChI=1S/C24H34O7/c1-5-23(15-21(29)13-11-19(27)9-7-17(3)25)31-24(6-2)16-22(30)14-12-20(28)10-8-18(4)26/h5-6,23-24H,1-2,7-16H2,3-4H3
InChIKeyQEMJQJJJWXEIGW-UHFFFAOYSA-N
XLogP3.47
TPSA111.65 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds20
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.53
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 10-(5,8,11-trioxododec-1-en-3-yloxy)dodec-11-ene-2,5,8-trione?
The IUPAC name of 10-(5,8,11-trioxododec-1-en-3-yloxy)dodec-11-ene-2,5,8-trione (CID 175457452) is 10-(5,8,11-trioxododec-1-en-3-yloxy)dodec-11-ene-2,5,8-trione.
What is the SMILES notation for 10-(5,8,11-trioxododec-1-en-3-yloxy)dodec-11-ene-2,5,8-trione?
The canonical SMILES for 10-(5,8,11-trioxododec-1-en-3-yloxy)dodec-11-ene-2,5,8-trione is C=CC(CC(=O)CCC(=O)CCC(C)=O)OC(C=C)CC(=O)CCC(=O)CCC(C)=O.
What is the InChIKey of 10-(5,8,11-trioxododec-1-en-3-yloxy)dodec-11-ene-2,5,8-trione?
The InChIKey is QEMJQJJJWXEIGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34O7/c1-5-23(15-21(29)13-11-19(27)9-7-17(3)25)31-24(6-2)16-22(30)14-12-20(28)10-8-18(4)26/h5-6,23-24H,1-2,7-16H2,3-4H3.
What are the key properties of 10-(5,8,11-trioxododec-1-en-3-yloxy)dodec-11-ene-2,5,8-trione?
10-(5,8,11-trioxododec-1-en-3-yloxy)dodec-11-ene-2,5,8-trione has a molecular weight of 434.53 g/mol, XLogP of 3.47, 20 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(5,8,11-trioxododec-1-en-3-yloxy)dodec-11-ene-2,5,8-trione is sourced from PubChem (CID 175457452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).