2-hexyl-1-benzoselenophene

C14H18Se — CID 101479101

IUPAC2-hexyl-1-benzoselenophene
SMILESCCCCCCc1cc2ccccc2[se]1
InChIInChI=1S/C14H18Se/c1-2-3-4-5-9-13-11-12-8-6-7-10-14(12)15-13/h6-8,10-11H,2-5,9H2,1H3
InChIKeyFKZYHMRNOUYVKU-UHFFFAOYSA-N
MW265.26 g/mol
LogP4.02
Rot. Bonds5

About 2-hexyl-1-benzoselenophene

2-hexyl-1-benzoselenophene (PubChem CID 101479101) has the molecular formula C14H18Se and a molecular weight of 265.26 g/mol. Its IUPAC name is 2-hexyl-1-benzoselenophene.

Molecular Properties

Compound Name2-hexyl-1-benzoselenophene
PubChem CID101479101
Molecular FormulaC14H18Se
Molecular Weight265.26 g/mol
Exact Mass266.06
IUPAC Name2-hexyl-1-benzoselenophene
SMILESCCCCCCc1cc2ccccc2[se]1
InChIInChI=1S/C14H18Se/c1-2-3-4-5-9-13-11-12-8-6-7-10-14(12)15-13/h6-8,10-11H,2-5,9H2,1H3
InChIKeyFKZYHMRNOUYVKU-UHFFFAOYSA-N
XLogP4.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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

2,3-diheptylanthracene
CID 14089075
2,3-dioctadecylpentacene
CID 91251003
1-dodecylisoquinoline;hydroiodide
CID 173144441
ethane;2-hexylnaphthalene
CID 142191207
2-octylanthracene
CID 23131226
2-(4-chlorophenyl)-5-octyl-3-phenylselenophene
CID 153406933
1,2-di(undecyl)benzene
CID 3019479
1-dodecyl-2-hexylbenzene
CID 19371073
heptane;phenanthrene
CID 157482146
1-nonyl-2-pentylbenzene
CID 54050070
1-hexadecyl-2-pentylbenzene
CID 53438584
1,2-di(nonadecyl)benzene
CID 101289987

Frequently Asked Questions

What is the IUPAC name of 2-hexyl-1-benzoselenophene?
The IUPAC name of 2-hexyl-1-benzoselenophene (CID 101479101) is 2-hexyl-1-benzoselenophene.
What is the SMILES notation for 2-hexyl-1-benzoselenophene?
The canonical SMILES for 2-hexyl-1-benzoselenophene is CCCCCCc1cc2ccccc2[se]1.
What is the InChIKey of 2-hexyl-1-benzoselenophene?
The InChIKey is FKZYHMRNOUYVKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Se/c1-2-3-4-5-9-13-11-12-8-6-7-10-14(12)15-13/h6-8,10-11H,2-5,9H2,1H3.
What are the key properties of 2-hexyl-1-benzoselenophene?
2-hexyl-1-benzoselenophene has a molecular weight of 265.26 g/mol, XLogP of 4.02, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexyl-1-benzoselenophene is sourced from PubChem (CID 101479101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).