ethane;iodobenzene;methane;molecular hydrogen

C26H47I3 — CID 161119948

IUPACethane;iodobenzene;methane;molecular hydrogen
SMILESC.C.C.C.C.C.CC.Ic1ccccc1.Ic1ccccc1.Ic1ccccc1.[H][H]
InChIInChI=1S/3C6H5I.C2H6.6CH4.H2/c3*7-6-4-2-1-3-5-6;1-2;;;;;;;/h3*1-5H;1-2H3;6*1H4;1H
InChIKeyUKUWGOPDDKYCKP-UHFFFAOYSA-N
MW740.37 g/mol
LogP11.96
Rot. Bonds

About ethane;iodobenzene;methane;molecular hydrogen

ethane;iodobenzene;methane;molecular hydrogen (PubChem CID 161119948) has the molecular formula C26H47I3 and a molecular weight of 740.37 g/mol. Its IUPAC name is ethane;iodobenzene;methane;molecular hydrogen.

Molecular Properties

Compound Nameethane;iodobenzene;methane;molecular hydrogen
PubChem CID161119948
Molecular FormulaC26H47I3
Molecular Weight740.37 g/mol
Exact Mass740.08
IUPAC Nameethane;iodobenzene;methane;molecular hydrogen
SMILESC.C.C.C.C.C.CC.Ic1ccccc1.Ic1ccccc1.Ic1ccccc1.[H][H]
InChIInChI=1S/3C6H5I.C2H6.6CH4.H2/c3*7-6-4-2-1-3-5-6;1-2;;;;;;;/h3*1-5H;1-2H3;6*1H4;1H
InChIKeyUKUWGOPDDKYCKP-UHFFFAOYSA-N
XLogP11.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500740.37
LogP ≤ 511.96
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 ethane;iodobenzene;methane;molecular hydrogen?
The IUPAC name of ethane;iodobenzene;methane;molecular hydrogen (CID 161119948) is ethane;iodobenzene;methane;molecular hydrogen.
What is the SMILES notation for ethane;iodobenzene;methane;molecular hydrogen?
The canonical SMILES for ethane;iodobenzene;methane;molecular hydrogen is C.C.C.C.C.C.CC.Ic1ccccc1.Ic1ccccc1.Ic1ccccc1.[H][H].
What is the InChIKey of ethane;iodobenzene;methane;molecular hydrogen?
The InChIKey is UKUWGOPDDKYCKP-UHFFFAOYSA-N. The full InChI is InChI=1S/3C6H5I.C2H6.6CH4.H2/c3*7-6-4-2-1-3-5-6;1-2;;;;;;;/h3*1-5H;1-2H3;6*1H4;1H.
What are the key properties of ethane;iodobenzene;methane;molecular hydrogen?
ethane;iodobenzene;methane;molecular hydrogen has a molecular weight of 740.37 g/mol, XLogP of 11.96, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;iodobenzene;methane;molecular hydrogen is sourced from PubChem (CID 161119948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).