ethylbenzene;propane;hydroiodide

C11H19I — CID 142182216

IUPACethylbenzene;propane;hydroiodide
SMILESCCC.CCc1ccccc1.I
InChIInChI=1S/C8H10.C3H8.HI/c1-2-8-6-4-3-5-7-8;1-3-2;/h3-7H,2H2,1H3;3H2,1-2H3;1H
InChIKeyUZUJIUJNJPBQLH-UHFFFAOYSA-N
MW278.18 g/mol
LogP4.28
Rot. Bonds1

About ethylbenzene;propane;hydroiodide

ethylbenzene;propane;hydroiodide (PubChem CID 142182216) has the molecular formula C11H19I and a molecular weight of 278.18 g/mol. Its IUPAC name is ethylbenzene;propane;hydroiodide.

Molecular Properties

Compound Nameethylbenzene;propane;hydroiodide
PubChem CID142182216
Molecular FormulaC11H19I
Molecular Weight278.18 g/mol
Exact Mass278.05
IUPAC Nameethylbenzene;propane;hydroiodide
SMILESCCC.CCc1ccccc1.I
InChIInChI=1S/C8H10.C3H8.HI/c1-2-8-6-4-3-5-7-8;1-3-2;/h3-7H,2H2,1H3;3H2,1-2H3;1H
InChIKeyUZUJIUJNJPBQLH-UHFFFAOYSA-N
XLogP4.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.18
LogP ≤ 54.28
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

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CID 19063869
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CID 158511344
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Frequently Asked Questions

What is the IUPAC name of ethylbenzene;propane;hydroiodide?
The IUPAC name of ethylbenzene;propane;hydroiodide (CID 142182216) is ethylbenzene;propane;hydroiodide.
What is the SMILES notation for ethylbenzene;propane;hydroiodide?
The canonical SMILES for ethylbenzene;propane;hydroiodide is CCC.CCc1ccccc1.I.
What is the InChIKey of ethylbenzene;propane;hydroiodide?
The InChIKey is UZUJIUJNJPBQLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10.C3H8.HI/c1-2-8-6-4-3-5-7-8;1-3-2;/h3-7H,2H2,1H3;3H2,1-2H3;1H.
What are the key properties of ethylbenzene;propane;hydroiodide?
ethylbenzene;propane;hydroiodide has a molecular weight of 278.18 g/mol, XLogP of 4.28, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethylbenzene;propane;hydroiodide is sourced from PubChem (CID 142182216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).