1-ethenyl-4-hexylbenzene

C14H20 — CID 21225742

IUPAC1-ethenyl-4-hexylbenzene
SMILESC=Cc1ccc(CCCCCC)cc1
InChIInChI=1S/C14H20/c1-3-5-6-7-8-14-11-9-13(4-2)10-12-14/h4,9-12H,2-3,5-8H2,1H3
InChIKeyLCNAQVGAHQVWIN-UHFFFAOYSA-N
MW188.31 g/mol
LogP4.45
Rot. Bonds6

About 1-ethenyl-4-hexylbenzene

1-ethenyl-4-hexylbenzene (PubChem CID 21225742) has the molecular formula C14H20 and a molecular weight of 188.31 g/mol. Its IUPAC name is 1-ethenyl-4-hexylbenzene.

Molecular Properties

Compound Name1-ethenyl-4-hexylbenzene
PubChem CID21225742
Molecular FormulaC14H20
Molecular Weight188.31 g/mol
Exact Mass188.16
IUPAC Name1-ethenyl-4-hexylbenzene
SMILESC=Cc1ccc(CCCCCC)cc1
InChIInChI=1S/C14H20/c1-3-5-6-7-8-14-11-9-13(4-2)10-12-14/h4,9-12H,2-3,5-8H2,1H3
InChIKeyLCNAQVGAHQVWIN-UHFFFAOYSA-N
XLogP4.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 54.45
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-4-nonylbenzene;1-ethenyl-4-octylbenzene
CID 22646096
1-ethenyl-4-hexylbenzene;1-ethenyl-4-(methoxymethyl)benzene
CID 157182704
tributyl-[7-(4-ethenylphenyl)heptyl]phosphanium
CID 160536967
1-(4-ethenylphenyl)-N-(4-nonylphenyl)methanimine
CID 143730274
1-ethenyl-4-pentylbenzene;1,2,3,5-tetrafluorobenzene
CID 90876868
1-ethenyl-4-(5-phenylpentyl)benzene
CID 151483185
1-butyl-4-nonylbenzene
CID 59545302
1-but-3-enyl-4-hexylbenzene
CID 91077567
1-hexyl-4-prop-2-enylbenzene
CID 91099375
1-decyl-4-oct-7-enylbenzene
CID 91553239
1-decyl-4-hex-5-enylbenzene
CID 91529966
1-decyl-4-[4-(4-octylphenyl)buta-1,3-dienyl]benzene
CID 173328821

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-4-hexylbenzene?
The IUPAC name of 1-ethenyl-4-hexylbenzene (CID 21225742) is 1-ethenyl-4-hexylbenzene.
What is the SMILES notation for 1-ethenyl-4-hexylbenzene?
The canonical SMILES for 1-ethenyl-4-hexylbenzene is C=Cc1ccc(CCCCCC)cc1.
What is the InChIKey of 1-ethenyl-4-hexylbenzene?
The InChIKey is LCNAQVGAHQVWIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20/c1-3-5-6-7-8-14-11-9-13(4-2)10-12-14/h4,9-12H,2-3,5-8H2,1H3.
What are the key properties of 1-ethenyl-4-hexylbenzene?
1-ethenyl-4-hexylbenzene has a molecular weight of 188.31 g/mol, XLogP of 4.45, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-4-hexylbenzene is sourced from PubChem (CID 21225742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).