ethane;propane;toluene;1,1,1-triiodopropane

C17H33I3 — CID 123951192

IUPACethane;propane;toluene;1,1,1-triiodopropane
SMILESCC.CC.CCC.CCC(I)(I)I.Cc1ccccc1
InChIInChI=1S/C7H8.C3H5I3.C3H8.2C2H6/c1-7-5-3-2-4-6-7;1-2-3(4,5)6;1-3-2;2*1-2/h2-6H,1H3;2H2,1H3;3H2,1-2H3;2*1-2H3
InChIKeyWYGOOESXEKRVHV-UHFFFAOYSA-N
MW618.16 g/mol
LogP8.82
Rot. Bonds1

About ethane;propane;toluene;1,1,1-triiodopropane

ethane;propane;toluene;1,1,1-triiodopropane (PubChem CID 123951192) has the molecular formula C17H33I3 and a molecular weight of 618.16 g/mol. Its IUPAC name is ethane;propane;toluene;1,1,1-triiodopropane.

Molecular Properties

Compound Nameethane;propane;toluene;1,1,1-triiodopropane
PubChem CID123951192
Molecular FormulaC17H33I3
Molecular Weight618.16 g/mol
Exact Mass617.97
IUPAC Nameethane;propane;toluene;1,1,1-triiodopropane
SMILESCC.CC.CCC.CCC(I)(I)I.Cc1ccccc1
InChIInChI=1S/C7H8.C3H5I3.C3H8.2C2H6/c1-7-5-3-2-4-6-7;1-2-3(4,5)6;1-3-2;2*1-2/h2-6H,1H3;2H2,1H3;3H2,1-2H3;2*1-2H3
InChIKeyWYGOOESXEKRVHV-UHFFFAOYSA-N
XLogP8.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500618.16
LogP ≤ 58.82
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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Frequently Asked Questions

What is the IUPAC name of ethane;propane;toluene;1,1,1-triiodopropane?
The IUPAC name of ethane;propane;toluene;1,1,1-triiodopropane (CID 123951192) is ethane;propane;toluene;1,1,1-triiodopropane.
What is the SMILES notation for ethane;propane;toluene;1,1,1-triiodopropane?
The canonical SMILES for ethane;propane;toluene;1,1,1-triiodopropane is CC.CC.CCC.CCC(I)(I)I.Cc1ccccc1.
What is the InChIKey of ethane;propane;toluene;1,1,1-triiodopropane?
The InChIKey is WYGOOESXEKRVHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8.C3H5I3.C3H8.2C2H6/c1-7-5-3-2-4-6-7;1-2-3(4,5)6;1-3-2;2*1-2/h2-6H,1H3;2H2,1H3;3H2,1-2H3;2*1-2H3.
What are the key properties of ethane;propane;toluene;1,1,1-triiodopropane?
ethane;propane;toluene;1,1,1-triiodopropane has a molecular weight of 618.16 g/mol, XLogP of 8.82, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;propane;toluene;1,1,1-triiodopropane is sourced from PubChem (CID 123951192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).