1-butyl-2-ethenyl-3-methylbenzene

C13H18 — CID 154145018

IUPAC1-butyl-2-ethenyl-3-methylbenzene
SMILESC=Cc1c(C)cccc1CCCC
InChIInChI=1S/C13H18/c1-4-6-9-12-10-7-8-11(3)13(12)5-2/h5,7-8,10H,2,4,6,9H2,1,3H3
InChIKeyFIXOETMRFZXFEA-UHFFFAOYSA-N
MW174.29 g/mol
LogP3.98
Rot. Bonds4

About 1-butyl-2-ethenyl-3-methylbenzene

1-butyl-2-ethenyl-3-methylbenzene (PubChem CID 154145018) has the molecular formula C13H18 and a molecular weight of 174.29 g/mol. Its IUPAC name is 1-butyl-2-ethenyl-3-methylbenzene.

Molecular Properties

Compound Name1-butyl-2-ethenyl-3-methylbenzene
PubChem CID154145018
Molecular FormulaC13H18
Molecular Weight174.29 g/mol
Exact Mass174.14
IUPAC Name1-butyl-2-ethenyl-3-methylbenzene
SMILESC=Cc1c(C)cccc1CCCC
InChIInChI=1S/C13H18/c1-4-6-9-12-10-7-8-11(3)13(12)5-2/h5,7-8,10H,2,4,6,9H2,1,3H3
InChIKeyFIXOETMRFZXFEA-UHFFFAOYSA-N
XLogP3.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.29
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3-butyl-2-ethenylphenol
CID 23312031
1,3-didecyl-2-ethenylbenzene
CID 10572118
1,2-bis(ethenyl)-3-octadecylbenzene
CID 18628258
1-benzyl-2-ethenyl-3-methylbenzene
CID 140517304
2-butyl-1-methyl-3-prop-2-enylbenzene
CID 173148760
1-butyl-2-chloro-3-ethenylbenzene
CID 174299293
1-but-3-enyl-2,3-dibutylbenzene
CID 140596669
1,2,3-tributylbenzene;hydrate
CID 172716323
1-butyl-2-prop-2-enylbenzene
CID 18786435
acetylene;2-ethenyl-1,3-dimethylbenzene
CID 142972019
1-methyl-2-pentylbenzene
CID 524553
1-butyl-2-methylbenzene;ethane;propane
CID 142102479

Frequently Asked Questions

What is the IUPAC name of 1-butyl-2-ethenyl-3-methylbenzene?
The IUPAC name of 1-butyl-2-ethenyl-3-methylbenzene (CID 154145018) is 1-butyl-2-ethenyl-3-methylbenzene.
What is the SMILES notation for 1-butyl-2-ethenyl-3-methylbenzene?
The canonical SMILES for 1-butyl-2-ethenyl-3-methylbenzene is C=Cc1c(C)cccc1CCCC.
What is the InChIKey of 1-butyl-2-ethenyl-3-methylbenzene?
The InChIKey is FIXOETMRFZXFEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18/c1-4-6-9-12-10-7-8-11(3)13(12)5-2/h5,7-8,10H,2,4,6,9H2,1,3H3.
What are the key properties of 1-butyl-2-ethenyl-3-methylbenzene?
1-butyl-2-ethenyl-3-methylbenzene has a molecular weight of 174.29 g/mol, XLogP of 3.98, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2-ethenyl-3-methylbenzene is sourced from PubChem (CID 154145018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).