ethane;toluene

C17H38 — CID 91350799

IUPACethane;toluene
SMILESCC.CC.CC.CC.CC.Cc1ccccc1
InChIInChI=1S/C7H8.5C2H6/c1-7-5-3-2-4-6-7;5*1-2/h2-6H,1H3;5*1-2H3
InChIKeyKAYUBPAXDZJTBF-UHFFFAOYSA-N
MW242.49 g/mol
LogP7.13
Rot. Bonds

About ethane;toluene

ethane;toluene (PubChem CID 91350799) has the molecular formula C17H38 and a molecular weight of 242.49 g/mol. Its IUPAC name is ethane;toluene.

Molecular Properties

Compound Nameethane;toluene
PubChem CID91350799
Molecular FormulaC17H38
Molecular Weight242.49 g/mol
Exact Mass242.30
IUPAC Nameethane;toluene
SMILESCC.CC.CC.CC.CC.Cc1ccccc1
InChIInChI=1S/C7H8.5C2H6/c1-7-5-3-2-4-6-7;5*1-2/h2-6H,1H3;5*1-2H3
InChIKeyKAYUBPAXDZJTBF-UHFFFAOYSA-N
XLogP7.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500242.49
LogP ≤ 57.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

benzene;ethane;toluene
CID 158929596
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benzene;toluene
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CID 22023820
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CID 162174228
germane;toluene
CID 174411556
iridium;toluene
CID 160574470
toluene;hydrate
CID 22272177
toluene;tetrahydrochloride
CID 174345064
bismuthane;toluene
CID 173370039
gold;toluene
CID 159315944
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CID 21283935

Frequently Asked Questions

What is the IUPAC name of ethane;toluene?
The IUPAC name of ethane;toluene (CID 91350799) is ethane;toluene.
What is the SMILES notation for ethane;toluene?
The canonical SMILES for ethane;toluene is CC.CC.CC.CC.CC.Cc1ccccc1.
What is the InChIKey of ethane;toluene?
The InChIKey is KAYUBPAXDZJTBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8.5C2H6/c1-7-5-3-2-4-6-7;5*1-2/h2-6H,1H3;5*1-2H3.
What are the key properties of ethane;toluene?
ethane;toluene has a molecular weight of 242.49 g/mol, XLogP of 7.13, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;toluene is sourced from PubChem (CID 91350799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).