1-(5-ethyl-4-methylideneheptyl)-2-iodobenzene

C16H23I — CID 11688718

IUPAC1-(5-ethyl-4-methylideneheptyl)-2-iodobenzene
SMILESC=C(CCCc1ccccc1I)C(CC)CC
InChIInChI=1S/C16H23I/c1-4-14(5-2)13(3)9-8-11-15-10-6-7-12-16(15)17/h6-7,10,12,14H,3-5,8-9,11H2,1-2H3
InChIKeyNUKBVRAXSXQFDH-UHFFFAOYSA-N
MW342.26 g/mol
LogP5.61
Rot. Bonds7

About 1-(5-ethyl-4-methylideneheptyl)-2-iodobenzene

1-(5-ethyl-4-methylideneheptyl)-2-iodobenzene (PubChem CID 11688718) has the molecular formula C16H23I and a molecular weight of 342.26 g/mol. Its IUPAC name is 1-(5-ethyl-4-methylideneheptyl)-2-iodobenzene.

Molecular Properties

Compound Name1-(5-ethyl-4-methylideneheptyl)-2-iodobenzene
PubChem CID11688718
Molecular FormulaC16H23I
Molecular Weight342.26 g/mol
Exact Mass342.08
IUPAC Name1-(5-ethyl-4-methylideneheptyl)-2-iodobenzene
SMILESC=C(CCCc1ccccc1I)C(CC)CC
InChIInChI=1S/C16H23I/c1-4-14(5-2)13(3)9-8-11-15-10-6-7-12-16(15)17/h6-7,10,12,14H,3-5,8-9,11H2,1-2H3
InChIKeyNUKBVRAXSXQFDH-UHFFFAOYSA-N
XLogP5.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.26
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

6-(2-iodophenyl)hexan-3-one
CID 11623608
bromomethane;1-(3-bromopropyl)-2-iodobenzene
CID 123156710
5-(2-iodophenyl)pentan-1-ol
CID 54534561
N-[(2-iodophenyl)methyl]ethanamine
CID 15639059
2-(2-iodophenyl)ethyl 2-methylprop-2-enoate;hydroiodide
CID 172855401
2,2,2-trifluoro-N-[2-(2-iodophenyl)ethyl]-N-methylacetamide
CID 102470809
2-(2-iodophenyl)ethanamine;hydrochloride
CID 20517474
(3-ethyl-4-methylpent-4-enyl)benzene
CID 123220776
(3-methoxy-4-methylideneoctyl)benzene
CID 71375436
1-iodo-2-[(2-iodophenyl)methyl]benzene
CID 597023
1-(4-methylpent-4-enyl)naphthalene
CID 146002701
ethyl 7-(2-iodophenyl)-2-oxohept-3-ynoate
CID 58164817

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethyl-4-methylideneheptyl)-2-iodobenzene?
The IUPAC name of 1-(5-ethyl-4-methylideneheptyl)-2-iodobenzene (CID 11688718) is 1-(5-ethyl-4-methylideneheptyl)-2-iodobenzene.
What is the SMILES notation for 1-(5-ethyl-4-methylideneheptyl)-2-iodobenzene?
The canonical SMILES for 1-(5-ethyl-4-methylideneheptyl)-2-iodobenzene is C=C(CCCc1ccccc1I)C(CC)CC.
What is the InChIKey of 1-(5-ethyl-4-methylideneheptyl)-2-iodobenzene?
The InChIKey is NUKBVRAXSXQFDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23I/c1-4-14(5-2)13(3)9-8-11-15-10-6-7-12-16(15)17/h6-7,10,12,14H,3-5,8-9,11H2,1-2H3.
What are the key properties of 1-(5-ethyl-4-methylideneheptyl)-2-iodobenzene?
1-(5-ethyl-4-methylideneheptyl)-2-iodobenzene has a molecular weight of 342.26 g/mol, XLogP of 5.61, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethyl-4-methylideneheptyl)-2-iodobenzene is sourced from PubChem (CID 11688718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).