2-butyl-3-ethenyloxirene

C8H12O — CID 141178181

IUPAC2-butyl-3-ethenyloxirene
SMILESC=CC1=C(CCCC)O1
InChIInChI=1S/C8H12O/c1-3-5-6-8-7(4-2)9-8/h4H,2-3,5-6H2,1H3
InChIKeyZJECZIABZBNDBG-UHFFFAOYSA-N
MW124.18 g/mol
LogP2.60
Rot. Bonds4

About 2-butyl-3-ethenyloxirene

2-butyl-3-ethenyloxirene (PubChem CID 141178181) has the molecular formula C8H12O and a molecular weight of 124.18 g/mol. Its IUPAC name is 2-butyl-3-ethenyloxirene.

Molecular Properties

Compound Name2-butyl-3-ethenyloxirene
PubChem CID141178181
Molecular FormulaC8H12O
Molecular Weight124.18 g/mol
Exact Mass124.09
IUPAC Name2-butyl-3-ethenyloxirene
SMILESC=CC1=C(CCCC)O1
InChIInChI=1S/C8H12O/c1-3-5-6-8-7(4-2)9-8/h4H,2-3,5-6H2,1H3
InChIKeyZJECZIABZBNDBG-UHFFFAOYSA-N
XLogP2.60
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.18
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-butyl-3-fluorooxirene
CID 139665601
3-butyl-5-ethenyl-1,2,4-oxadiazole
CID 79405150
1,3,5-tris-decyl-2-ethenylbenzene
CID 152557926
3-butyl-5-ethenylpyridine
CID 18679137
1,4-dibutyl-2-ethenylbenzene
CID 140596757
2-dodec-11-enyl-3-undecoxyoxirene
CID 140533261
1,3-didecyl-2-ethenylbenzene
CID 10572118
1-ethenyl-4-hexylbenzene
CID 21225742
1-ethenyl-4-nonylbenzene;1-ethenyl-4-octylbenzene
CID 22646096
1-bromo-2-butyl-3-ethenylbenzene
CID 68743980
1,2,3,4,5,6-hexabutylbenzene
CID 12586860
1-butyl-2-ethenyl-3-methylbenzene
CID 154145018

Frequently Asked Questions

What is the IUPAC name of 2-butyl-3-ethenyloxirene?
The IUPAC name of 2-butyl-3-ethenyloxirene (CID 141178181) is 2-butyl-3-ethenyloxirene.
What is the SMILES notation for 2-butyl-3-ethenyloxirene?
The canonical SMILES for 2-butyl-3-ethenyloxirene is C=CC1=C(CCCC)O1.
What is the InChIKey of 2-butyl-3-ethenyloxirene?
The InChIKey is ZJECZIABZBNDBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O/c1-3-5-6-8-7(4-2)9-8/h4H,2-3,5-6H2,1H3.
What are the key properties of 2-butyl-3-ethenyloxirene?
2-butyl-3-ethenyloxirene has a molecular weight of 124.18 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-3-ethenyloxirene is sourced from PubChem (CID 141178181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).