propylbenzene tetraiodide

C9H12I4-4 — CID 23321652

IUPACpropylbenzene tetraiodide
SMILESCCCc1ccccc1.[I-].[I-].[I-].[I-]
InChIInChI=1S/C9H12.4HI/c1-2-6-9-7-4-3-5-8-9;;;;/h3-5,7-8H,2,6H2,1H3;4*1H/p-4
InChIKeyCSRWKXIDVUJMMH-UHFFFAOYSA-J
MW627.81 g/mol
LogP-9.34
Rot. Bonds2

About propylbenzene tetraiodide

propylbenzene tetraiodide (PubChem CID 23321652) has the molecular formula C9H12I4-4 and a molecular weight of 627.81 g/mol. Its IUPAC name is propylbenzene tetraiodide.

Molecular Properties

Compound Namepropylbenzene tetraiodide
PubChem CID23321652
Molecular FormulaC9H12I4-4
Molecular Weight627.81 g/mol
Exact Mass627.71
IUPAC Namepropylbenzene tetraiodide
SMILESCCCc1ccccc1.[I-].[I-].[I-].[I-]
InChIInChI=1S/C9H12.4HI/c1-2-6-9-7-4-3-5-8-9;;;;/h3-5,7-8H,2,6H2,1H3;4*1H/p-4
InChIKeyCSRWKXIDVUJMMH-UHFFFAOYSA-J
XLogP-9.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500627.81
LogP ≤ 5-9.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

propylbenzene;hydrobromide
CID 70024036
potassium;hydride;propylbenzene
CID 174749122
lithium;ethyne;propylbenzene
CID 174833014
butylbenzene;propylbenzene
CID 142022125
carbanide;ethane;lanthanum;propane;propylbenzene
CID 161064679
ethane;ethylbenzene;propylbenzene
CID 153343160
benzene;propylbenzene;toluene
CID 142060228
ethane;ethylbenzene;propylbenzene
CID 144852867
1-bromopropane;propylbenzene
CID 158382353
phenol;propylbenzene
CID 18469730
deuteriomethane;fluoromethane;propylbenzene
CID 91154303
isocyanic acid;propylbenzene
CID 87313673

Frequently Asked Questions

What is the IUPAC name of propylbenzene tetraiodide?
The IUPAC name of propylbenzene tetraiodide (CID 23321652) is propylbenzene tetraiodide.
What is the SMILES notation for propylbenzene tetraiodide?
The canonical SMILES for propylbenzene tetraiodide is CCCc1ccccc1.[I-].[I-].[I-].[I-].
What is the InChIKey of propylbenzene tetraiodide?
The InChIKey is CSRWKXIDVUJMMH-UHFFFAOYSA-J. The full InChI is InChI=1S/C9H12.4HI/c1-2-6-9-7-4-3-5-8-9;;;;/h3-5,7-8H,2,6H2,1H3;4*1H/p-4.
What are the key properties of propylbenzene tetraiodide?
propylbenzene tetraiodide has a molecular weight of 627.81 g/mol, XLogP of -9.34, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for propylbenzene tetraiodide is sourced from PubChem (CID 23321652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).