1-butyl-4-[(E)-hex-3-enyl]benzene

C16H24 — CID 91565101

IUPAC1-butyl-4-[(E)-hex-3-enyl]benzene
SMILESCC/C=C/CCc1ccc(CCCC)cc1
InChIInChI=1S/C16H24/c1-3-5-7-8-10-16-13-11-15(12-14-16)9-6-4-2/h5,7,11-14H,3-4,6,8-10H2,1-2H3/b7-5+
InChIKeyHODQSLZRFIQGHU-FNORWQNLSA-N
MW216.37 g/mol
LogP4.93
Rot. Bonds7

About 1-butyl-4-[(E)-hex-3-enyl]benzene

1-butyl-4-[(E)-hex-3-enyl]benzene (PubChem CID 91565101) has the molecular formula C16H24 and a molecular weight of 216.37 g/mol. Its IUPAC name is 1-butyl-4-[(E)-hex-3-enyl]benzene.

Molecular Properties

Compound Name1-butyl-4-[(E)-hex-3-enyl]benzene
PubChem CID91565101
Molecular FormulaC16H24
Molecular Weight216.37 g/mol
Exact Mass216.19
IUPAC Name1-butyl-4-[(E)-hex-3-enyl]benzene
SMILESCC/C=C/CCc1ccc(CCCC)cc1
InChIInChI=1S/C16H24/c1-3-5-7-8-10-16-13-11-15(12-14-16)9-6-4-2/h5,7,11-14H,3-4,6,8-10H2,1-2H3/b7-5+
InChIKeyHODQSLZRFIQGHU-FNORWQNLSA-N
XLogP4.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[[4-[(E)-hex-3-enyl]phenyl]methylideneamino]-1-(4-pentylphenyl)methanimine
CID 70190206
1-chloro-4-[(E)-hex-3-enyl]benzene
CID 57078477
4-hex-3-enylpyridine
CID 139722961
1-hept-3-enyl-4-pent-3-enylbenzene
CID 123755117
1-but-3-enyl-4-[2-(4-hept-4-enylphenyl)ethynyl]benzene
CID 139754665
1,4-bis[(4-butylphenyl)methyl]benzene
CID 58021495
1-butyl-4-[(4-butylphenyl)methyl]benzene
CID 57156341
1-butyl-4-nonylbenzene
CID 59545302
1-[(E)-4-fluorobut-3-enyl]-4-(4-pentylphenyl)benzene
CID 19798797
1-hept-3-enyl-4-iodobenzene
CID 139749261
1-[(E)-dec-3-enyl]-4-methoxybenzene
CID 11299600
1-[2-[4-[(E)-hex-3-enyl]phenyl]ethynyl]-4-(4-methylphenyl)benzene
CID 139764861

Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-[(E)-hex-3-enyl]benzene?
The IUPAC name of 1-butyl-4-[(E)-hex-3-enyl]benzene (CID 91565101) is 1-butyl-4-[(E)-hex-3-enyl]benzene.
What is the SMILES notation for 1-butyl-4-[(E)-hex-3-enyl]benzene?
The canonical SMILES for 1-butyl-4-[(E)-hex-3-enyl]benzene is CC/C=C/CCc1ccc(CCCC)cc1.
What is the InChIKey of 1-butyl-4-[(E)-hex-3-enyl]benzene?
The InChIKey is HODQSLZRFIQGHU-FNORWQNLSA-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/h5,7,11-14H,3-4,6,8-10H2,1-2H3/b7-5+.
What are the key properties of 1-butyl-4-[(E)-hex-3-enyl]benzene?
1-butyl-4-[(E)-hex-3-enyl]benzene has a molecular weight of 216.37 g/mol, XLogP of 4.93, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-[(E)-hex-3-enyl]benzene is sourced from PubChem (CID 91565101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).