methane;molecular iodine;pentane

C6H16I2 — CID 159700807

IUPACmethane;molecular iodine;pentane
SMILESC.CCCCC.II
InChIInChI=1S/C5H12.CH4.I2/c1-3-5-4-2;;1-2/h3-5H2,1-2H3;1H4;
InChIKeyMXPBZHFCJJDGLL-UHFFFAOYSA-N
MW342.00 g/mol
LogP4.60
Rot. Bonds2

About methane;molecular iodine;pentane

methane;molecular iodine;pentane (PubChem CID 159700807) has the molecular formula C6H16I2 and a molecular weight of 342.00 g/mol. Its IUPAC name is methane;molecular iodine;pentane.

Molecular Properties

Compound Namemethane;molecular iodine;pentane
PubChem CID159700807
Molecular FormulaC6H16I2
Molecular Weight342.00 g/mol
Exact Mass341.93
IUPAC Namemethane;molecular iodine;pentane
SMILESC.CCCCC.II
InChIInChI=1S/C5H12.CH4.I2/c1-3-5-4-2;;1-2/h3-5H2,1-2H3;1H4;
InChIKeyMXPBZHFCJJDGLL-UHFFFAOYSA-N
XLogP4.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.00
LogP ≤ 54.60
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

methane;molecular iodine;pentane
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methane;pentane;propane
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methane;pentane;propane
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methane;pentane;phosphane
CID 162253317
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CID 142801861
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CID 162085022
butane;methane;pentane;yttrium
CID 160675384
pentane;stannane
CID 173279416
CID 157215984
CID 157215984
pentane;propane
CID 91422342
zinc pentane
CID 19065630

Frequently Asked Questions

What is the IUPAC name of methane;molecular iodine;pentane?
The IUPAC name of methane;molecular iodine;pentane (CID 159700807) is methane;molecular iodine;pentane.
What is the SMILES notation for methane;molecular iodine;pentane?
The canonical SMILES for methane;molecular iodine;pentane is C.CCCCC.II.
What is the InChIKey of methane;molecular iodine;pentane?
The InChIKey is MXPBZHFCJJDGLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12.CH4.I2/c1-3-5-4-2;;1-2/h3-5H2,1-2H3;1H4;.
What are the key properties of methane;molecular iodine;pentane?
methane;molecular iodine;pentane has a molecular weight of 342.00 g/mol, XLogP of 4.60, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methane;molecular iodine;pentane is sourced from PubChem (CID 159700807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).