methane;pent-2-ene;triiodide

C6H14I3- — CID 161226462

IUPACmethane;pent-2-ene;triiodide
SMILESC.CC=CCC.I[I-]I
InChIInChI=1S/C5H10.CH4.I3/c1-3-5-4-2;;1-3-2/h3,5H,4H2,1-2H3;1H4;/q;;-1
InChIKeyFZLVTUATUZXESN-UHFFFAOYSA-N
MW466.89 g/mol
LogP1.38
Rot. Bonds1

About methane;pent-2-ene;triiodide

methane;pent-2-ene;triiodide (PubChem CID 161226462) has the molecular formula C6H14I3- and a molecular weight of 466.89 g/mol. Its IUPAC name is methane;pent-2-ene;triiodide.

Molecular Properties

Compound Namemethane;pent-2-ene;triiodide
PubChem CID161226462
Molecular FormulaC6H14I3-
Molecular Weight466.89 g/mol
Exact Mass466.82
IUPAC Namemethane;pent-2-ene;triiodide
SMILESC.CC=CCC.I[I-]I
InChIInChI=1S/C5H10.CH4.I3/c1-3-5-4-2;;1-3-2/h3,5H,4H2,1-2H3;1H4;/q;;-1
InChIKeyFZLVTUATUZXESN-UHFFFAOYSA-N
XLogP1.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.89
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methane;pent-2-ene;triiodide?
The IUPAC name of methane;pent-2-ene;triiodide (CID 161226462) is methane;pent-2-ene;triiodide.
What is the SMILES notation for methane;pent-2-ene;triiodide?
The canonical SMILES for methane;pent-2-ene;triiodide is C.CC=CCC.I[I-]I.
What is the InChIKey of methane;pent-2-ene;triiodide?
The InChIKey is FZLVTUATUZXESN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10.CH4.I3/c1-3-5-4-2;;1-3-2/h3,5H,4H2,1-2H3;1H4;/q;;-1.
What are the key properties of methane;pent-2-ene;triiodide?
methane;pent-2-ene;triiodide has a molecular weight of 466.89 g/mol, XLogP of 1.38, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methane;pent-2-ene;triiodide is sourced from PubChem (CID 161226462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).