ethane;methane;methanol;molecular iodine;toluene

C13H30I2O — CID 158656549

IUPACethane;methane;methanol;molecular iodine;toluene
SMILESC.C.C.CC.CO.Cc1ccccc1.II
InChIInChI=1S/C7H8.C2H6.CH4O.3CH4.I2/c1-7-5-3-2-4-6-7;2*1-2;;;;1-2/h2-6H,1H3;1-2H3;2H,1H3;3*1H4;
InChIKeyICFAXJGSCVPBRH-UHFFFAOYSA-N
MW456.19 g/mol
LogP6.31
Rot. Bonds

About ethane;methane;methanol;molecular iodine;toluene

ethane;methane;methanol;molecular iodine;toluene (PubChem CID 158656549) has the molecular formula C13H30I2O and a molecular weight of 456.19 g/mol. Its IUPAC name is ethane;methane;methanol;molecular iodine;toluene.

Molecular Properties

Compound Nameethane;methane;methanol;molecular iodine;toluene
PubChem CID158656549
Molecular FormulaC13H30I2O
Molecular Weight456.19 g/mol
Exact Mass456.04
IUPAC Nameethane;methane;methanol;molecular iodine;toluene
SMILESC.C.C.CC.CO.Cc1ccccc1.II
InChIInChI=1S/C7H8.C2H6.CH4O.3CH4.I2/c1-7-5-3-2-4-6-7;2*1-2;;;;1-2/h2-6H,1H3;1-2H3;2H,1H3;3*1H4;
InChIKeyICFAXJGSCVPBRH-UHFFFAOYSA-N
XLogP6.31
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.19
LogP ≤ 56.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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;methane;methanol;molecular iodine;toluene?
The IUPAC name of ethane;methane;methanol;molecular iodine;toluene (CID 158656549) is ethane;methane;methanol;molecular iodine;toluene.
What is the SMILES notation for ethane;methane;methanol;molecular iodine;toluene?
The canonical SMILES for ethane;methane;methanol;molecular iodine;toluene is C.C.C.CC.CO.Cc1ccccc1.II.
What is the InChIKey of ethane;methane;methanol;molecular iodine;toluene?
The InChIKey is ICFAXJGSCVPBRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8.C2H6.CH4O.3CH4.I2/c1-7-5-3-2-4-6-7;2*1-2;;;;1-2/h2-6H,1H3;1-2H3;2H,1H3;3*1H4;.
What are the key properties of ethane;methane;methanol;molecular iodine;toluene?
ethane;methane;methanol;molecular iodine;toluene has a molecular weight of 456.19 g/mol, XLogP of 6.31, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methane;methanol;molecular iodine;toluene is sourced from PubChem (CID 158656549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).