2-dodec-1-enylcyclohexa-2,5-diene-1,4-dione

C18H26O2 — CID 90841664

IUPAC2-dodec-1-enylcyclohexa-2,5-diene-1,4-dione
SMILESCCCCCCCCCCC=CC1=CC(=O)C=CC1=O
InChIInChI=1S/C18H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-16-15-17(19)13-14-18(16)20/h11-15H,2-10H2,1H3
InChIKeyGKKHTDGXXWXYQP-UHFFFAOYSA-N
MW274.40 g/mol
LogP4.71
Rot. Bonds10

About 2-dodec-1-enylcyclohexa-2,5-diene-1,4-dione

2-dodec-1-enylcyclohexa-2,5-diene-1,4-dione (PubChem CID 90841664) has the molecular formula C18H26O2 and a molecular weight of 274.40 g/mol. Its IUPAC name is 2-dodec-1-enylcyclohexa-2,5-diene-1,4-dione.

Molecular Properties

Compound Name2-dodec-1-enylcyclohexa-2,5-diene-1,4-dione
PubChem CID90841664
Molecular FormulaC18H26O2
Molecular Weight274.40 g/mol
Exact Mass274.19
IUPAC Name2-dodec-1-enylcyclohexa-2,5-diene-1,4-dione
SMILESCCCCCCCCCCC=CC1=CC(=O)C=CC1=O
InChIInChI=1S/C18H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-16-15-17(19)13-14-18(16)20/h11-15H,2-10H2,1H3
InChIKeyGKKHTDGXXWXYQP-UHFFFAOYSA-N
XLogP4.71
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.40
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'chinone_1', 'substructure': 'N/A'}

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Related Compounds

2-[(Z)-heptadec-4-enyl]cyclohexa-2,5-diene-1,4-dione
CID 132556062
2-heptylcyclohexa-2,5-diene-1,4-dione
CID 154029427
tetratriacont-8-ene
CID 123670593
(E)-icos-10-ene
CID 10468895
heptatriacont-13-ene
CID 71378710
(E)-docos-6-ene
CID 22172020
(E)-hexadec-6-ene
CID 5352260
(Z)-docos-9-ene
CID 11690102
(E)-hexacos-10-ene
CID 22172169
(E)-nonacos-10-ene
CID 14367300
triacont-12-ene
CID 54535715
(Z)-octadec-6-ene
CID 5352239

Frequently Asked Questions

What is the IUPAC name of 2-dodec-1-enylcyclohexa-2,5-diene-1,4-dione?
The IUPAC name of 2-dodec-1-enylcyclohexa-2,5-diene-1,4-dione (CID 90841664) is 2-dodec-1-enylcyclohexa-2,5-diene-1,4-dione.
What is the SMILES notation for 2-dodec-1-enylcyclohexa-2,5-diene-1,4-dione?
The canonical SMILES for 2-dodec-1-enylcyclohexa-2,5-diene-1,4-dione is CCCCCCCCCCC=CC1=CC(=O)C=CC1=O.
What is the InChIKey of 2-dodec-1-enylcyclohexa-2,5-diene-1,4-dione?
The InChIKey is GKKHTDGXXWXYQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-16-15-17(19)13-14-18(16)20/h11-15H,2-10H2,1H3.
What are the key properties of 2-dodec-1-enylcyclohexa-2,5-diene-1,4-dione?
2-dodec-1-enylcyclohexa-2,5-diene-1,4-dione has a molecular weight of 274.40 g/mol, XLogP of 4.71, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dodec-1-enylcyclohexa-2,5-diene-1,4-dione is sourced from PubChem (CID 90841664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).