1-[(E)-hex-4-en-2-yl]-2-propylbenzene

C15H22 — CID 145391504

IUPAC1-[(E)-hex-4-en-2-yl]-2-propylbenzene
SMILESC/C=C/CC(C)c1ccccc1CCC
InChIInChI=1S/C15H22/c1-4-6-10-13(3)15-12-8-7-11-14(15)9-5-2/h4,6-8,11-13H,5,9-10H2,1-3H3/b6-4+
InChIKeyMFYYPZKPGALSBA-GQCTYLIASA-N
MW202.34 g/mol
LogP4.71
Rot. Bonds5

About 1-[(E)-hex-4-en-2-yl]-2-propylbenzene

1-[(E)-hex-4-en-2-yl]-2-propylbenzene (PubChem CID 145391504) has the molecular formula C15H22 and a molecular weight of 202.34 g/mol. Its IUPAC name is 1-[(E)-hex-4-en-2-yl]-2-propylbenzene.

Molecular Properties

Compound Name1-[(E)-hex-4-en-2-yl]-2-propylbenzene
PubChem CID145391504
Molecular FormulaC15H22
Molecular Weight202.34 g/mol
Exact Mass202.17
IUPAC Name1-[(E)-hex-4-en-2-yl]-2-propylbenzene
SMILESC/C=C/CC(C)c1ccccc1CCC
InChIInChI=1S/C15H22/c1-4-6-10-13(3)15-12-8-7-11-14(15)9-5-2/h4,6-8,11-13H,5,9-10H2,1-3H3/b6-4+
InChIKeyMFYYPZKPGALSBA-GQCTYLIASA-N
XLogP4.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 54.71
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-methyl-2-(2-propylphenyl)propan-1-amine
CID 105425339
1-(1-phenylpropan-2-yl)-2-propylbenzene
CID 18968363
1-but-2-enyl-2-propylbenzene
CID 139617865
1-ethyl-2-[(2S)-pentan-2-yl]benzene
CID 144927407
2-ethoxy-6-[(Z)-hex-4-en-2-yl]phenol
CID 83930787
N-(2-propylphenyl)ethanimine
CID 67389044
1-butan-2-yl-2-butylbenzene;ethane;propane
CID 144927563
1-(4-cyclohexylbutan-2-yl)-2-propylbenzene
CID 142148571
2-amino-2-methyl-1-(2-propylphenyl)propane-1-thiol
CID 155137314
4-tert-butyl-1-ethyl-2-[(Z)-hex-4-en-2-yl]benzene
CID 83927610
2-[1-(2,3-dipropylphenyl)propan-2-yl]phenol
CID 67252187
1-butyl-2-[1-(2-butylphenyl)ethyl]benzene
CID 19828902

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-hex-4-en-2-yl]-2-propylbenzene?
The IUPAC name of 1-[(E)-hex-4-en-2-yl]-2-propylbenzene (CID 145391504) is 1-[(E)-hex-4-en-2-yl]-2-propylbenzene.
What is the SMILES notation for 1-[(E)-hex-4-en-2-yl]-2-propylbenzene?
The canonical SMILES for 1-[(E)-hex-4-en-2-yl]-2-propylbenzene is C/C=C/CC(C)c1ccccc1CCC.
What is the InChIKey of 1-[(E)-hex-4-en-2-yl]-2-propylbenzene?
The InChIKey is MFYYPZKPGALSBA-GQCTYLIASA-N. The full InChI is InChI=1S/C15H22/c1-4-6-10-13(3)15-12-8-7-11-14(15)9-5-2/h4,6-8,11-13H,5,9-10H2,1-3H3/b6-4+.
What are the key properties of 1-[(E)-hex-4-en-2-yl]-2-propylbenzene?
1-[(E)-hex-4-en-2-yl]-2-propylbenzene has a molecular weight of 202.34 g/mol, XLogP of 4.71, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-hex-4-en-2-yl]-2-propylbenzene is sourced from PubChem (CID 145391504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).