1-but-3-enyl-2,3-dibutylbenzene

C18H28 — CID 140596669

IUPAC1-but-3-enyl-2,3-dibutylbenzene
SMILESC=CCCc1cccc(CCCC)c1CCCC
InChIInChI=1S/C18H28/c1-4-7-11-16-13-10-14-17(12-8-5-2)18(16)15-9-6-3/h4,10,13-14H,1,5-9,11-12,15H2,2-3H3
InChIKeyZAEOBDDSJOGJHT-UHFFFAOYSA-N
MW244.42 g/mol
LogP5.49
Rot. Bonds9

About 1-but-3-enyl-2,3-dibutylbenzene

1-but-3-enyl-2,3-dibutylbenzene (PubChem CID 140596669) has the molecular formula C18H28 and a molecular weight of 244.42 g/mol. Its IUPAC name is 1-but-3-enyl-2,3-dibutylbenzene.

Molecular Properties

Compound Name1-but-3-enyl-2,3-dibutylbenzene
PubChem CID140596669
Molecular FormulaC18H28
Molecular Weight244.42 g/mol
Exact Mass244.22
IUPAC Name1-but-3-enyl-2,3-dibutylbenzene
SMILESC=CCCc1cccc(CCCC)c1CCCC
InChIInChI=1S/C18H28/c1-4-7-11-16-13-10-14-17(12-8-5-2)18(16)15-9-6-3/h4,10,13-14H,1,5-9,11-12,15H2,2-3H3
InChIKeyZAEOBDDSJOGJHT-UHFFFAOYSA-N
XLogP5.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500244.42
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,2,3-tributylbenzene;hydrate
CID 172716323
2-butyl-1,3-di(tetracosyl)benzene
CID 91602515
1,2-dibutyl-3-dodecylbenzene
CID 91050964
1-dodecyl-2-octyl-3-tridecylbenzene
CID 175505104
1,2,3-tri(icosyl)benzene
CID 90987509
2-butyl-1-octyl-3-propylbenzene
CID 141216645
(2,3-dibutylphenyl)methylphosphane
CID 21314355
2-butyl-1-methyl-3-prop-2-enylbenzene
CID 173148760
1,2-dipentylbenzene;1,2,3-tripentylbenzene
CID 161479121
1,3-dibutyl-2-ethylbenzene
CID 22713046
1-butyl-2-ethenyl-3-methylbenzene
CID 154145018
CID 173081095
CID 173081095

Frequently Asked Questions

What is the IUPAC name of 1-but-3-enyl-2,3-dibutylbenzene?
The IUPAC name of 1-but-3-enyl-2,3-dibutylbenzene (CID 140596669) is 1-but-3-enyl-2,3-dibutylbenzene.
What is the SMILES notation for 1-but-3-enyl-2,3-dibutylbenzene?
The canonical SMILES for 1-but-3-enyl-2,3-dibutylbenzene is C=CCCc1cccc(CCCC)c1CCCC.
What is the InChIKey of 1-but-3-enyl-2,3-dibutylbenzene?
The InChIKey is ZAEOBDDSJOGJHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28/c1-4-7-11-16-13-10-14-17(12-8-5-2)18(16)15-9-6-3/h4,10,13-14H,1,5-9,11-12,15H2,2-3H3.
What are the key properties of 1-but-3-enyl-2,3-dibutylbenzene?
1-but-3-enyl-2,3-dibutylbenzene has a molecular weight of 244.42 g/mol, XLogP of 5.49, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-3-enyl-2,3-dibutylbenzene is sourced from PubChem (CID 140596669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).