dodec-1-enylselenonylbenzene

C18H28O2Se — CID 71320349

IUPACdodec-1-enylselenonylbenzene
SMILESCCCCCCCCCCC=C[Se](=O)(=O)c1ccccc1
InChIInChI=1S/C18H28O2Se/c1-2-3-4-5-6-7-8-9-10-14-17-21(19,20)18-15-12-11-13-16-18/h11-17H,2-10H2,1H3
InChIKeyMYMJCMXLQUCTCM-UHFFFAOYSA-N
MW355.38 g/mol
LogP4.82
Rot. Bonds11

About dodec-1-enylselenonylbenzene

dodec-1-enylselenonylbenzene (PubChem CID 71320349) has the molecular formula C18H28O2Se and a molecular weight of 355.38 g/mol. Its IUPAC name is dodec-1-enylselenonylbenzene.

Molecular Properties

Compound Namedodec-1-enylselenonylbenzene
PubChem CID71320349
Molecular FormulaC18H28O2Se
Molecular Weight355.38 g/mol
Exact Mass356.13
IUPAC Namedodec-1-enylselenonylbenzene
SMILESCCCCCCCCCCC=C[Se](=O)(=O)c1ccccc1
InChIInChI=1S/C18H28O2Se/c1-2-3-4-5-6-7-8-9-10-14-17-21(19,20)18-15-12-11-13-16-18/h11-17H,2-10H2,1H3
InChIKeyMYMJCMXLQUCTCM-UHFFFAOYSA-N
XLogP4.82
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.38
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(E)-octadec-1-enyl]benzene
CID 22722345
dodec-4-enylbenzene
CID 54018856
nonadec-10-enylbenzene
CID 54264053
[(Z)-heptadec-10-enyl]benzene
CID 175397737
heptadec-4-enylbenzene
CID 173163087
CID 70492452
CID 70492452
N-[(Z)-non-1-enyl]benzenesulfonamide
CID 57205320
non-1-enylsulfinylbenzene
CID 71319651
[(E)-oct-2-enyl]benzene
CID 13383320
oct-1-enylbenzene;phosphoric acid
CID 159316508
[(12E,24E,36E,48E,60E)-hexahexaconta-12,24,36,48,60-pentaenyl]-triphenylphosphanium
CID 10796462
CID 137265378
CID 137265378

Frequently Asked Questions

What is the IUPAC name of dodec-1-enylselenonylbenzene?
The IUPAC name of dodec-1-enylselenonylbenzene (CID 71320349) is dodec-1-enylselenonylbenzene.
What is the SMILES notation for dodec-1-enylselenonylbenzene?
The canonical SMILES for dodec-1-enylselenonylbenzene is CCCCCCCCCCC=C[Se](=O)(=O)c1ccccc1.
What is the InChIKey of dodec-1-enylselenonylbenzene?
The InChIKey is MYMJCMXLQUCTCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O2Se/c1-2-3-4-5-6-7-8-9-10-14-17-21(19,20)18-15-12-11-13-16-18/h11-17H,2-10H2,1H3.
What are the key properties of dodec-1-enylselenonylbenzene?
dodec-1-enylselenonylbenzene has a molecular weight of 355.38 g/mol, XLogP of 4.82, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dodec-1-enylselenonylbenzene is sourced from PubChem (CID 71320349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).