1-(5-chloro-2-methylpent-2-enyl)-4-ethylbenzene

C14H19Cl — CID 79603113

IUPAC1-(5-chloro-2-methylpent-2-enyl)-4-ethylbenzene
SMILESCCc1ccc(CC(C)=CCCCl)cc1
InChIInChI=1S/C14H19Cl/c1-3-13-6-8-14(9-7-13)11-12(2)5-4-10-15/h5-9H,3-4,10-11H2,1-2H3
InChIKeyXOICDTGEBISAQY-UHFFFAOYSA-N
MW222.76 g/mol
LogP4.37
Rot. Bonds5

About 1-(5-chloro-2-methylpent-2-enyl)-4-ethylbenzene

1-(5-chloro-2-methylpent-2-enyl)-4-ethylbenzene (PubChem CID 79603113) has the molecular formula C14H19Cl and a molecular weight of 222.76 g/mol. Its IUPAC name is 1-(5-chloro-2-methylpent-2-enyl)-4-ethylbenzene.

Molecular Properties

Compound Name1-(5-chloro-2-methylpent-2-enyl)-4-ethylbenzene
PubChem CID79603113
Molecular FormulaC14H19Cl
Molecular Weight222.76 g/mol
Exact Mass222.12
IUPAC Name1-(5-chloro-2-methylpent-2-enyl)-4-ethylbenzene
SMILESCCc1ccc(CC(C)=CCCCl)cc1
InChIInChI=1S/C14H19Cl/c1-3-13-6-8-14(9-7-13)11-12(2)5-4-10-15/h5-9H,3-4,10-11H2,1-2H3
InChIKeyXOICDTGEBISAQY-UHFFFAOYSA-N
XLogP4.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.76
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-4-(5-chloro-2-methylpent-2-enyl)benzene
CID 79603110
5-(4-ethylphenyl)-4-methyl-N-(2-methylpropyl)pent-3-en-1-amine
CID 79607637
1-bromo-2-(5-chloro-2-methylpent-2-enyl)benzene
CID 79592669
5-(4-bromophenyl)-4-methylpent-3-en-1-amine
CID 79592239
2-chloro-1-[(Z)-5-chloro-2-methylpent-2-enyl]-4-methylbenzene
CID 106870839
1-tert-butyl-4-(2-methylpent-2-enyl)benzene
CID 57230599
5-(4-fluorophenyl)-N,4-dimethylpent-3-en-1-amine
CID 79599451
4-[(Z)-5-bromo-2-methylpent-2-enyl]-1,2-difluorobenzene
CID 82934801
methyl-[(E)-4-methyl-5-phenylpent-3-enyl]oxidanium
CID 163985565
1-ethyl-4-(2-methylidenebut-3-enyl)benzene;methane;2-methylbut-1-ene
CID 143774858
1-(4-ethylphenyl)butane-2,3-dione
CID 83697691
N-[1-(4-ethylphenyl)propan-2-ylidene]hydroxylamine
CID 74031282

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methylpent-2-enyl)-4-ethylbenzene?
The IUPAC name of 1-(5-chloro-2-methylpent-2-enyl)-4-ethylbenzene (CID 79603113) is 1-(5-chloro-2-methylpent-2-enyl)-4-ethylbenzene.
What is the SMILES notation for 1-(5-chloro-2-methylpent-2-enyl)-4-ethylbenzene?
The canonical SMILES for 1-(5-chloro-2-methylpent-2-enyl)-4-ethylbenzene is CCc1ccc(CC(C)=CCCCl)cc1.
What is the InChIKey of 1-(5-chloro-2-methylpent-2-enyl)-4-ethylbenzene?
The InChIKey is XOICDTGEBISAQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl/c1-3-13-6-8-14(9-7-13)11-12(2)5-4-10-15/h5-9H,3-4,10-11H2,1-2H3.
What are the key properties of 1-(5-chloro-2-methylpent-2-enyl)-4-ethylbenzene?
1-(5-chloro-2-methylpent-2-enyl)-4-ethylbenzene has a molecular weight of 222.76 g/mol, XLogP of 4.37, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methylpent-2-enyl)-4-ethylbenzene is sourced from PubChem (CID 79603113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).