1-but-3-enyl-4-hexylbenzene

C16H24 — CID 91077567

IUPAC1-but-3-enyl-4-hexylbenzene
SMILESC=CCCc1ccc(CCCCCC)cc1
InChIInChI=1S/C16H24/c1-3-5-7-8-10-16-13-11-15(12-14-16)9-6-4-2/h4,11-14H,2-3,5-10H2,1H3
InChIKeyHMMBCHLHTGUYPA-UHFFFAOYSA-N
MW216.37 g/mol
LogP4.93
Rot. Bonds8

About 1-but-3-enyl-4-hexylbenzene

1-but-3-enyl-4-hexylbenzene (PubChem CID 91077567) has the molecular formula C16H24 and a molecular weight of 216.37 g/mol. Its IUPAC name is 1-but-3-enyl-4-hexylbenzene.

Molecular Properties

Compound Name1-but-3-enyl-4-hexylbenzene
PubChem CID91077567
Molecular FormulaC16H24
Molecular Weight216.37 g/mol
Exact Mass216.19
IUPAC Name1-but-3-enyl-4-hexylbenzene
SMILESC=CCCc1ccc(CCCCCC)cc1
InChIInChI=1S/C16H24/c1-3-5-7-8-10-16-13-11-15(12-14-16)9-6-4-2/h4,11-14H,2-3,5-10H2,1H3
InChIKeyHMMBCHLHTGUYPA-UHFFFAOYSA-N
XLogP4.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.37
LogP ≤ 54.93
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-decyl-4-hex-5-enylbenzene
CID 91529966
1-decyl-4-oct-7-enylbenzene
CID 91553239
1-hexyl-4-prop-2-enylbenzene
CID 91099375
2-but-3-enyl-6-(4-pentylphenyl)naphthalene
CID 139860505
1-pentyl-4-prop-2-enylbenzene
CID 24721930
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
buta-1,3-diene;ethane;4-octylaniline
CID 143848294
1-hex-5-enyl-4-[2-[4-(4-pentylphenyl)phenyl]ethynyl]benzene
CID 139764887
CID 59759292
CID 59759292

Frequently Asked Questions

What is the IUPAC name of 1-but-3-enyl-4-hexylbenzene?
The IUPAC name of 1-but-3-enyl-4-hexylbenzene (CID 91077567) is 1-but-3-enyl-4-hexylbenzene.
What is the SMILES notation for 1-but-3-enyl-4-hexylbenzene?
The canonical SMILES for 1-but-3-enyl-4-hexylbenzene is C=CCCc1ccc(CCCCCC)cc1.
What is the InChIKey of 1-but-3-enyl-4-hexylbenzene?
The InChIKey is HMMBCHLHTGUYPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24/c1-3-5-7-8-10-16-13-11-15(12-14-16)9-6-4-2/h4,11-14H,2-3,5-10H2,1H3.
What are the key properties of 1-but-3-enyl-4-hexylbenzene?
1-but-3-enyl-4-hexylbenzene has a molecular weight of 216.37 g/mol, XLogP of 4.93, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-3-enyl-4-hexylbenzene is sourced from PubChem (CID 91077567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).