1-hexyl-4-prop-2-enylbenzene

C15H22 — CID 91099375

IUPAC1-hexyl-4-prop-2-enylbenzene
SMILESC=CCc1ccc(CCCCCC)cc1
InChIInChI=1S/C15H22/c1-3-5-6-7-9-15-12-10-14(8-4-2)11-13-15/h4,10-13H,2-3,5-9H2,1H3
InChIKeyDOYIJXAXCOOCGO-UHFFFAOYSA-N
MW202.34 g/mol
LogP4.54
Rot. Bonds7

About 1-hexyl-4-prop-2-enylbenzene

1-hexyl-4-prop-2-enylbenzene (PubChem CID 91099375) has the molecular formula C15H22 and a molecular weight of 202.34 g/mol. Its IUPAC name is 1-hexyl-4-prop-2-enylbenzene.

Molecular Properties

Compound Name1-hexyl-4-prop-2-enylbenzene
PubChem CID91099375
Molecular FormulaC15H22
Molecular Weight202.34 g/mol
Exact Mass202.17
IUPAC Name1-hexyl-4-prop-2-enylbenzene
SMILESC=CCc1ccc(CCCCCC)cc1
InChIInChI=1S/C15H22/c1-3-5-6-7-9-15-12-10-14(8-4-2)11-13-15/h4,10-13H,2-3,5-9H2,1H3
InChIKeyDOYIJXAXCOOCGO-UHFFFAOYSA-N
XLogP4.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-pentyl-4-prop-2-enylbenzene
CID 24721930
1-but-3-enyl-4-hexylbenzene
CID 91077567
1-decyl-4-hex-5-enylbenzene
CID 91529966
1-decyl-4-oct-7-enylbenzene
CID 91553239
2-(4-dodecylphenyl)acetaldehyde
CID 175020639
1-octyl-4-(4-octylphenyl)benzene
CID 22766415
1-butyl-4-nonylbenzene
CID 59545302
1-ethenyl-4-nonylbenzene;1-ethenyl-4-octylbenzene
CID 22646096
1-ethenyl-4-hexylbenzene
CID 21225742
CID 59759292
CID 59759292
1-ethyl-4-octacosylbenzene
CID 175218304
buta-1,3-diene;ethane;4-octylaniline
CID 143848294

Frequently Asked Questions

What is the IUPAC name of 1-hexyl-4-prop-2-enylbenzene?
The IUPAC name of 1-hexyl-4-prop-2-enylbenzene (CID 91099375) is 1-hexyl-4-prop-2-enylbenzene.
What is the SMILES notation for 1-hexyl-4-prop-2-enylbenzene?
The canonical SMILES for 1-hexyl-4-prop-2-enylbenzene is C=CCc1ccc(CCCCCC)cc1.
What is the InChIKey of 1-hexyl-4-prop-2-enylbenzene?
The InChIKey is DOYIJXAXCOOCGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22/c1-3-5-6-7-9-15-12-10-14(8-4-2)11-13-15/h4,10-13H,2-3,5-9H2,1H3.
What are the key properties of 1-hexyl-4-prop-2-enylbenzene?
1-hexyl-4-prop-2-enylbenzene has a molecular weight of 202.34 g/mol, XLogP of 4.54, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexyl-4-prop-2-enylbenzene is sourced from PubChem (CID 91099375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).