1-butyl-4-hex-5-en-3-ylbenzene

C16H24 — CID 83921804

IUPAC1-butyl-4-hex-5-en-3-ylbenzene
SMILESC=CCC(CC)c1ccc(CCCC)cc1
InChIInChI=1S/C16H24/c1-4-7-9-14-10-12-16(13-11-14)15(6-3)8-5-2/h5,10-13,15H,2,4,6-9H2,1,3H3
InChIKeyTVXOLGZLKLANSZ-UHFFFAOYSA-N
MW216.37 g/mol
LogP5.10
Rot. Bonds7

About 1-butyl-4-hex-5-en-3-ylbenzene

1-butyl-4-hex-5-en-3-ylbenzene (PubChem CID 83921804) has the molecular formula C16H24 and a molecular weight of 216.37 g/mol. Its IUPAC name is 1-butyl-4-hex-5-en-3-ylbenzene.

Molecular Properties

Compound Name1-butyl-4-hex-5-en-3-ylbenzene
PubChem CID83921804
Molecular FormulaC16H24
Molecular Weight216.37 g/mol
Exact Mass216.19
IUPAC Name1-butyl-4-hex-5-en-3-ylbenzene
SMILESC=CCC(CC)c1ccc(CCCC)cc1
InChIInChI=1S/C16H24/c1-4-7-9-14-10-12-16(13-11-14)15(6-3)8-5-2/h5,10-13,15H,2,4,6-9H2,1,3H3
InChIKeyTVXOLGZLKLANSZ-UHFFFAOYSA-N
XLogP5.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500216.37
LogP ≤ 55.10
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

oct-1-en-4-ylbenzene
CID 22247233
1-ethylsulfanyl-4-hex-5-en-3-ylbenzene
CID 83935882
ethane;1-hex-5-en-3-yl-4-methoxybenzene
CID 142172169
1-butyl-4-propan-2-ylbenzene;hexane
CID 142937575
bis(4-butylphenyl)methylphosphane
CID 90110025
1-butyl-4-propan-2-ylbenzene;1,4-di(propan-2-yl)benzene;methane
CID 176687578
1-butyl-4-(1-methoxypropyl)benzene
CID 123986440
2-(aminomethyl)-4-(4-butylphenyl)hexan-1-ol
CID 83921754
methyl 4-[(3R)-hex-5-en-3-yl]benzoate
CID 129405819
1-pentyl-4-prop-2-enylbenzene
CID 24721930
1-(1-bromo-2-ethylbutyl)-4-butylbenzene
CID 55199725
1-butyl-4-(2-methylbut-3-enyl)benzene
CID 83921809

Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-hex-5-en-3-ylbenzene?
The IUPAC name of 1-butyl-4-hex-5-en-3-ylbenzene (CID 83921804) is 1-butyl-4-hex-5-en-3-ylbenzene.
What is the SMILES notation for 1-butyl-4-hex-5-en-3-ylbenzene?
The canonical SMILES for 1-butyl-4-hex-5-en-3-ylbenzene is C=CCC(CC)c1ccc(CCCC)cc1.
What is the InChIKey of 1-butyl-4-hex-5-en-3-ylbenzene?
The InChIKey is TVXOLGZLKLANSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24/c1-4-7-9-14-10-12-16(13-11-14)15(6-3)8-5-2/h5,10-13,15H,2,4,6-9H2,1,3H3.
What are the key properties of 1-butyl-4-hex-5-en-3-ylbenzene?
1-butyl-4-hex-5-en-3-ylbenzene has a molecular weight of 216.37 g/mol, XLogP of 5.10, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-hex-5-en-3-ylbenzene is sourced from PubChem (CID 83921804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).