[(Z)-2-chloro-3,3-dimethylbut-1-enyl]-phenyliodanium

C12H15ClI+ — CID 10763951

IUPAC[(Z)-2-chloro-3,3-dimethylbut-1-enyl]-phenyliodanium
SMILESCC(C)(C)/C(Cl)=C/[I+]c1ccccc1
InChIInChI=1S/C12H15ClI/c1-12(2,3)11(13)9-14-10-7-5-4-6-8-10/h4-9H,1-3H3/q+1/b11-9-
InChIKeyDZWLCJSHZFFRNA-LUAWRHEFSA-N
MW321.61 g/mol
LogP1.07
Rot. Bonds2

About [(Z)-2-chloro-3,3-dimethylbut-1-enyl]-phenyliodanium

[(Z)-2-chloro-3,3-dimethylbut-1-enyl]-phenyliodanium (PubChem CID 10763951) has the molecular formula C12H15ClI+ and a molecular weight of 321.61 g/mol. Its IUPAC name is [(Z)-2-chloro-3,3-dimethylbut-1-enyl]-phenyliodanium.

Molecular Properties

Compound Name[(Z)-2-chloro-3,3-dimethylbut-1-enyl]-phenyliodanium
PubChem CID10763951
Molecular FormulaC12H15ClI+
Molecular Weight321.61 g/mol
Exact Mass320.99
IUPAC Name[(Z)-2-chloro-3,3-dimethylbut-1-enyl]-phenyliodanium
SMILESCC(C)(C)/C(Cl)=C/[I+]c1ccccc1
InChIInChI=1S/C12H15ClI/c1-12(2,3)11(13)9-14-10-7-5-4-6-8-10/h4-9H,1-3H3/q+1/b11-9-
InChIKeyDZWLCJSHZFFRNA-LUAWRHEFSA-N
XLogP1.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.61
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze [(Z)-2-chloro-3,3-dimethylbut-1-enyl]-phenyliodanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(Z)-2-(2,2-dimethylpropanoyloxy)prop-1-enyl]-phenyliodanium
CID 134877789
phenyl-[(E)-2-phenylprop-1-enyl]iodanium
CID 12014626
[(Z)-2-chloro-3,3-dimethylbut-1-enyl]sulfanylbenzene
CID 125477364
[(Z)-2-chloro-5-phenylpent-1-enyl]-phenyliodanium
CID 10790533
1-[(2S,3R)-2,3-diphenylaziridin-1-yl]-2,2-dimethylpropan-1-one
CID 14925845
[(E)-3-cyclopentyl-2-methyl-3-oxoprop-1-enyl]-phenyliodanium
CID 14196223
phenyl-[(E)-prop-1-enyl]iodanium
CID 11290489
2-(4-phenylpiperidin-2-yl)propan-2-ol
CID 12560551
2-[(1S,2S)-2-phenylcyclopropyl]propan-2-ol
CID 102315759
2,2-dimethyl-1-(2-phenylcyclopropyl)propan-1-one
CID 76612897
[(1S)-2-tert-butylcyclopropyl]benzene
CID 59541250
carbonochloridic acid;phenyl 2,2-dimethylpropanoate
CID 174754992

Frequently Asked Questions

What is the IUPAC name of [(Z)-2-chloro-3,3-dimethylbut-1-enyl]-phenyliodanium?
The IUPAC name of [(Z)-2-chloro-3,3-dimethylbut-1-enyl]-phenyliodanium (CID 10763951) is [(Z)-2-chloro-3,3-dimethylbut-1-enyl]-phenyliodanium.
What is the SMILES notation for [(Z)-2-chloro-3,3-dimethylbut-1-enyl]-phenyliodanium?
The canonical SMILES for [(Z)-2-chloro-3,3-dimethylbut-1-enyl]-phenyliodanium is CC(C)(C)/C(Cl)=C/[I+]c1ccccc1.
What is the InChIKey of [(Z)-2-chloro-3,3-dimethylbut-1-enyl]-phenyliodanium?
The InChIKey is DZWLCJSHZFFRNA-LUAWRHEFSA-N. The full InChI is InChI=1S/C12H15ClI/c1-12(2,3)11(13)9-14-10-7-5-4-6-8-10/h4-9H,1-3H3/q+1/b11-9-.
What are the key properties of [(Z)-2-chloro-3,3-dimethylbut-1-enyl]-phenyliodanium?
[(Z)-2-chloro-3,3-dimethylbut-1-enyl]-phenyliodanium has a molecular weight of 321.61 g/mol, XLogP of 1.07, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-2-chloro-3,3-dimethylbut-1-enyl]-phenyliodanium is sourced from PubChem (CID 10763951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).