1-ethyl-4-(1-ethyliodanuidyl-1-iodoethyl)benzene

C12H17I2- — CID 163987705

IUPAC1-ethyl-4-(1-ethyliodanuidyl-1-iodoethyl)benzene
SMILESCC[I-]C(C)(I)c1ccc(CC)cc1
InChIInChI=1S/C12H17I2/c1-4-10-6-8-11(9-7-10)12(3,13)14-5-2/h6-9H,4-5H2,1-3H3/q-1
InChIKeyFSTHUXLBXZJKAD-UHFFFAOYSA-N
MW415.08 g/mol
LogP0.97
Rot. Bonds4

About 1-ethyl-4-(1-ethyliodanuidyl-1-iodoethyl)benzene

1-ethyl-4-(1-ethyliodanuidyl-1-iodoethyl)benzene (PubChem CID 163987705) has the molecular formula C12H17I2- and a molecular weight of 415.08 g/mol. Its IUPAC name is 1-ethyl-4-(1-ethyliodanuidyl-1-iodoethyl)benzene.

Molecular Properties

Compound Name1-ethyl-4-(1-ethyliodanuidyl-1-iodoethyl)benzene
PubChem CID163987705
Molecular FormulaC12H17I2-
Molecular Weight415.08 g/mol
Exact Mass414.94
IUPAC Name1-ethyl-4-(1-ethyliodanuidyl-1-iodoethyl)benzene
SMILESCC[I-]C(C)(I)c1ccc(CC)cc1
InChIInChI=1S/C12H17I2/c1-4-10-6-8-11(9-7-10)12(3,13)14-5-2/h6-9H,4-5H2,1-3H3/q-1
InChIKeyFSTHUXLBXZJKAD-UHFFFAOYSA-N
XLogP0.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.08
LogP ≤ 50.97
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

Alpha-Methylstyrene
CID 7407
Ethylbenzene
CID 7500
P-Xylene
CID 7809
P-Cymene
CID 7463
1,2,4-Trimethylbenzene
CID 7247
Cumene
CID 7406
Butylbenzene
CID 7705
1-Ethenyl-4-methylbenzene
CID 12161
Pentylbenzene
CID 10864
Propylbenzene
CID 7668
4-tert-Butyltoluene
CID 7390
1,4-Diethylbenzene
CID 7734

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-(1-ethyliodanuidyl-1-iodoethyl)benzene?
The IUPAC name of 1-ethyl-4-(1-ethyliodanuidyl-1-iodoethyl)benzene (CID 163987705) is 1-ethyl-4-(1-ethyliodanuidyl-1-iodoethyl)benzene.
What is the SMILES notation for 1-ethyl-4-(1-ethyliodanuidyl-1-iodoethyl)benzene?
The canonical SMILES for 1-ethyl-4-(1-ethyliodanuidyl-1-iodoethyl)benzene is CC[I-]C(C)(I)c1ccc(CC)cc1.
What is the InChIKey of 1-ethyl-4-(1-ethyliodanuidyl-1-iodoethyl)benzene?
The InChIKey is FSTHUXLBXZJKAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17I2/c1-4-10-6-8-11(9-7-10)12(3,13)14-5-2/h6-9H,4-5H2,1-3H3/q-1.
What are the key properties of 1-ethyl-4-(1-ethyliodanuidyl-1-iodoethyl)benzene?
1-ethyl-4-(1-ethyliodanuidyl-1-iodoethyl)benzene has a molecular weight of 415.08 g/mol, XLogP of 0.97, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(1-ethyliodanuidyl-1-iodoethyl)benzene is sourced from PubChem (CID 163987705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).