ethane;methane;2-methylpropane;toluene

C15H32 — CID 161130755

IUPACethane;methane;2-methylpropane;toluene
SMILESC.C.CC.CC(C)C.Cc1ccccc1
InChIInChI=1S/C7H8.C4H10.C2H6.2CH4/c1-7-5-3-2-4-6-7;1-4(2)3;1-2;;/h2-6H,1H3;4H,1-3H3;1-2H3;2*1H4
InChIKeyUMDNLZXZEUAZCX-UHFFFAOYSA-N
MW212.42 g/mol
LogP5.96
Rot. Bonds

About ethane;methane;2-methylpropane;toluene

ethane;methane;2-methylpropane;toluene (PubChem CID 161130755) has the molecular formula C15H32 and a molecular weight of 212.42 g/mol. Its IUPAC name is ethane;methane;2-methylpropane;toluene.

Molecular Properties

Compound Nameethane;methane;2-methylpropane;toluene
PubChem CID161130755
Molecular FormulaC15H32
Molecular Weight212.42 g/mol
Exact Mass212.25
IUPAC Nameethane;methane;2-methylpropane;toluene
SMILESC.C.CC.CC(C)C.Cc1ccccc1
InChIInChI=1S/C7H8.C4H10.C2H6.2CH4/c1-7-5-3-2-4-6-7;1-4(2)3;1-2;;/h2-6H,1H3;4H,1-3H3;1-2H3;2*1H4
InChIKeyUMDNLZXZEUAZCX-UHFFFAOYSA-N
XLogP5.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500212.42
LogP ≤ 55.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of ethane;methane;2-methylpropane;toluene?
The IUPAC name of ethane;methane;2-methylpropane;toluene (CID 161130755) is ethane;methane;2-methylpropane;toluene.
What is the SMILES notation for ethane;methane;2-methylpropane;toluene?
The canonical SMILES for ethane;methane;2-methylpropane;toluene is C.C.CC.CC(C)C.Cc1ccccc1.
What is the InChIKey of ethane;methane;2-methylpropane;toluene?
The InChIKey is UMDNLZXZEUAZCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8.C4H10.C2H6.2CH4/c1-7-5-3-2-4-6-7;1-4(2)3;1-2;;/h2-6H,1H3;4H,1-3H3;1-2H3;2*1H4.
What are the key properties of ethane;methane;2-methylpropane;toluene?
ethane;methane;2-methylpropane;toluene has a molecular weight of 212.42 g/mol, XLogP of 5.96, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methane;2-methylpropane;toluene is sourced from PubChem (CID 161130755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).