4-butyl-5-methyl-2,3-dihydroselenophene

C9H16Se — CID 173132021

IUPAC4-butyl-5-methyl-2,3-dihydroselenophene
SMILESCCCCC1=C(C)[Se]CC1
InChIInChI=1S/C9H16Se/c1-3-4-5-9-6-7-10-8(9)2/h3-7H2,1-2H3
InChIKeyVBKMCVASYKGLMZ-UHFFFAOYSA-N
MW203.19 g/mol
LogP2.98
Rot. Bonds3

About 4-butyl-5-methyl-2,3-dihydroselenophene

4-butyl-5-methyl-2,3-dihydroselenophene (PubChem CID 173132021) has the molecular formula C9H16Se and a molecular weight of 203.19 g/mol. Its IUPAC name is 4-butyl-5-methyl-2,3-dihydroselenophene.

Molecular Properties

Compound Name4-butyl-5-methyl-2,3-dihydroselenophene
PubChem CID173132021
Molecular FormulaC9H16Se
Molecular Weight203.19 g/mol
Exact Mass204.04
IUPAC Name4-butyl-5-methyl-2,3-dihydroselenophene
SMILESCCCCC1=C(C)[Se]CC1
InChIInChI=1S/C9H16Se/c1-3-4-5-9-6-7-10-8(9)2/h3-7H2,1-2H3
InChIKeyVBKMCVASYKGLMZ-UHFFFAOYSA-N
XLogP2.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.19
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-butyl-2-methylcyclohexene;ethane
CID 145390002
1-butyl-2-methylcyclopenta-1,3-diene
CID 11252040
1-butyl-2-ethylcyclopentene
CID 154086983
1,2,3,4,5,6-hexabutylbenzene
CID 12586860
1-butyl-2-hexylcyclopropene
CID 134897823
1,2,3,4-tetrabutylcyclopenta-1,3-diene
CID 14094225
bis(1-butyl-2-methylcyclopenta-1,3-diene);zirconium(2+);dichloride
CID 159165203
(1Z)-1,2-dipentylcyclononene
CID 134981785
1,2-dihexylcyclohexene
CID 19795043
1,3,5-tributyl-2,4,6-trimethylbenzene
CID 123628431
1,2-diheptylcyclopropene
CID 557048
4-butyl-5-hydroxy-2,3-dihydropyran-6-one
CID 71321621

Frequently Asked Questions

What is the IUPAC name of 4-butyl-5-methyl-2,3-dihydroselenophene?
The IUPAC name of 4-butyl-5-methyl-2,3-dihydroselenophene (CID 173132021) is 4-butyl-5-methyl-2,3-dihydroselenophene.
What is the SMILES notation for 4-butyl-5-methyl-2,3-dihydroselenophene?
The canonical SMILES for 4-butyl-5-methyl-2,3-dihydroselenophene is CCCCC1=C(C)[Se]CC1.
What is the InChIKey of 4-butyl-5-methyl-2,3-dihydroselenophene?
The InChIKey is VBKMCVASYKGLMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16Se/c1-3-4-5-9-6-7-10-8(9)2/h3-7H2,1-2H3.
What are the key properties of 4-butyl-5-methyl-2,3-dihydroselenophene?
4-butyl-5-methyl-2,3-dihydroselenophene has a molecular weight of 203.19 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-5-methyl-2,3-dihydroselenophene is sourced from PubChem (CID 173132021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).