1-ethenyl-2-pentylbenzene

C13H18 — CID 22171756

IUPAC1-ethenyl-2-pentylbenzene
SMILESC=Cc1ccccc1CCCCC
InChIInChI=1S/C13H18/c1-3-5-6-10-13-11-8-7-9-12(13)4-2/h4,7-9,11H,2-3,5-6,10H2,1H3
InChIKeyODOPUIHJBDFAFR-UHFFFAOYSA-N
MW174.29 g/mol
LogP4.06
Rot. Bonds5

About 1-ethenyl-2-pentylbenzene

1-ethenyl-2-pentylbenzene (PubChem CID 22171756) has the molecular formula C13H18 and a molecular weight of 174.29 g/mol. Its IUPAC name is 1-ethenyl-2-pentylbenzene.

Molecular Properties

Compound Name1-ethenyl-2-pentylbenzene
PubChem CID22171756
Molecular FormulaC13H18
Molecular Weight174.29 g/mol
Exact Mass174.14
IUPAC Name1-ethenyl-2-pentylbenzene
SMILESC=Cc1ccccc1CCCCC
InChIInChI=1S/C13H18/c1-3-5-6-10-13-11-8-7-9-12(13)4-2/h4,7-9,11H,2-3,5-6,10H2,1H3
InChIKeyODOPUIHJBDFAFR-UHFFFAOYSA-N
XLogP4.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.29
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-ethenyl-2-[5-(2-ethenylphenyl)pentyl]benzene
CID 22572053
acetonitrile;1-butyl-2-ethenylbenzene
CID 18674742
acetic acid;1-butyl-2-ethenylbenzene
CID 174903313
1,2-bis(ethenyl)-3-octadecylbenzene
CID 18628258
1-butyl-2-ethenylbenzene;1-butyl-4-ethenylbenzene
CID 158873338
1-(7-bromoheptyl)-2-ethenylbenzene
CID 22468213
1,3-didecyl-2-ethenylbenzene
CID 10572118
1,2-bis(ethenyl)benzene;hexylbenzene
CID 175593213
1-butyl-2-chloro-3-ethenylbenzene
CID 174299293
1-dodecyl-2-hexylbenzene
CID 19371073
1,2-di(undecyl)benzene
CID 3019479
1-nonyl-2-pentylbenzene
CID 54050070

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-2-pentylbenzene?
The IUPAC name of 1-ethenyl-2-pentylbenzene (CID 22171756) is 1-ethenyl-2-pentylbenzene.
What is the SMILES notation for 1-ethenyl-2-pentylbenzene?
The canonical SMILES for 1-ethenyl-2-pentylbenzene is C=Cc1ccccc1CCCCC.
What is the InChIKey of 1-ethenyl-2-pentylbenzene?
The InChIKey is ODOPUIHJBDFAFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18/c1-3-5-6-10-13-11-8-7-9-12(13)4-2/h4,7-9,11H,2-3,5-6,10H2,1H3.
What are the key properties of 1-ethenyl-2-pentylbenzene?
1-ethenyl-2-pentylbenzene has a molecular weight of 174.29 g/mol, XLogP of 4.06, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-2-pentylbenzene is sourced from PubChem (CID 22171756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).