butane;methane;molecular iodine

C5H14I2 — CID 158060894

IUPACbutane;methane;molecular iodine
SMILESC.CCCC.II
InChIInChI=1S/C4H10.CH4.I2/c1-3-4-2;;1-2/h3-4H2,1-2H3;1H4;
InChIKeyFKPYPHKCYXBYFU-UHFFFAOYSA-N
MW327.98 g/mol
LogP4.21
Rot. Bonds1

About butane;methane;molecular iodine

butane;methane;molecular iodine (PubChem CID 158060894) has the molecular formula C5H14I2 and a molecular weight of 327.98 g/mol. Its IUPAC name is butane;methane;molecular iodine.

Molecular Properties

Compound Namebutane;methane;molecular iodine
PubChem CID158060894
Molecular FormulaC5H14I2
Molecular Weight327.98 g/mol
Exact Mass327.92
IUPAC Namebutane;methane;molecular iodine
SMILESC.CCCC.II
InChIInChI=1S/C4H10.CH4.I2/c1-3-4-2;;1-2/h3-4H2,1-2H3;1H4;
InChIKeyFKPYPHKCYXBYFU-UHFFFAOYSA-N
XLogP4.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.98
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of butane;methane;molecular iodine?
The IUPAC name of butane;methane;molecular iodine (CID 158060894) is butane;methane;molecular iodine.
What is the SMILES notation for butane;methane;molecular iodine?
The canonical SMILES for butane;methane;molecular iodine is C.CCCC.II.
What is the InChIKey of butane;methane;molecular iodine?
The InChIKey is FKPYPHKCYXBYFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10.CH4.I2/c1-3-4-2;;1-2/h3-4H2,1-2H3;1H4;.
What are the key properties of butane;methane;molecular iodine?
butane;methane;molecular iodine has a molecular weight of 327.98 g/mol, XLogP of 4.21, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butane;methane;molecular iodine is sourced from PubChem (CID 158060894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).