1-ethenyl-2-(3-iodopentyl)-4-methylbenzene

C14H19I — CID 66808128

IUPAC1-ethenyl-2-(3-iodopentyl)-4-methylbenzene
SMILESC=Cc1ccc(C)cc1CCC(I)CC
InChIInChI=1S/C14H19I/c1-4-12-7-6-11(3)10-13(12)8-9-14(15)5-2/h4,6-7,10,14H,1,5,8-9H2,2-3H3
InChIKeyMOKKKVHLMRZPIH-UHFFFAOYSA-N
MW314.21 g/mol
LogP4.78
Rot. Bonds5

About 1-ethenyl-2-(3-iodopentyl)-4-methylbenzene

1-ethenyl-2-(3-iodopentyl)-4-methylbenzene (PubChem CID 66808128) has the molecular formula C14H19I and a molecular weight of 314.21 g/mol. Its IUPAC name is 1-ethenyl-2-(3-iodopentyl)-4-methylbenzene.

Molecular Properties

Compound Name1-ethenyl-2-(3-iodopentyl)-4-methylbenzene
PubChem CID66808128
Molecular FormulaC14H19I
Molecular Weight314.21 g/mol
Exact Mass314.05
IUPAC Name1-ethenyl-2-(3-iodopentyl)-4-methylbenzene
SMILESC=Cc1ccc(C)cc1CCC(I)CC
InChIInChI=1S/C14H19I/c1-4-12-7-6-11(3)10-13(12)8-9-14(15)5-2/h4,6-7,10,14H,1,5,8-9H2,2-3H3
InChIKeyMOKKKVHLMRZPIH-UHFFFAOYSA-N
XLogP4.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.21
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

O-Xylene
CID 7237
P-Cymene
CID 7463
1,2,4-Trimethylbenzene
CID 7247
1,2,3-Trimethylbenzene
CID 10686
4-tert-Butyltoluene
CID 7390
1,4-Diethylbenzene
CID 7734
1,3-Diethylbenzene
CID 8864
2-Methylstyrene
CID 11904
p-alpha-Dimethyl styrene
CID 62385
M-Cymene
CID 10812
3-Ethyltoluene
CID 12100
O-Cymene
CID 10703

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-2-(3-iodopentyl)-4-methylbenzene?
The IUPAC name of 1-ethenyl-2-(3-iodopentyl)-4-methylbenzene (CID 66808128) is 1-ethenyl-2-(3-iodopentyl)-4-methylbenzene.
What is the SMILES notation for 1-ethenyl-2-(3-iodopentyl)-4-methylbenzene?
The canonical SMILES for 1-ethenyl-2-(3-iodopentyl)-4-methylbenzene is C=Cc1ccc(C)cc1CCC(I)CC.
What is the InChIKey of 1-ethenyl-2-(3-iodopentyl)-4-methylbenzene?
The InChIKey is MOKKKVHLMRZPIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19I/c1-4-12-7-6-11(3)10-13(12)8-9-14(15)5-2/h4,6-7,10,14H,1,5,8-9H2,2-3H3.
What are the key properties of 1-ethenyl-2-(3-iodopentyl)-4-methylbenzene?
1-ethenyl-2-(3-iodopentyl)-4-methylbenzene has a molecular weight of 314.21 g/mol, XLogP of 4.78, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-2-(3-iodopentyl)-4-methylbenzene is sourced from PubChem (CID 66808128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).