cumene;ethane

C11H18 — CID 54306132

IUPACcumene;ethane
SMILESCC.CC(C)c1ccccc1
InChIInChI=1S/C9H12.C2H6/c1-8(2)9-6-4-3-5-7-9;1-2/h3-8H,1-2H3;1-2H3
InChIKeySHQHRDPILKDALG-UHFFFAOYSA-N
MW150.26 g/mol
LogP3.84
Rot. Bonds1

About cumene;ethane

cumene;ethane (PubChem CID 54306132) has the molecular formula C11H18 and a molecular weight of 150.26 g/mol. Its IUPAC name is cumene;ethane.

Molecular Properties

Compound Namecumene;ethane
PubChem CID54306132
Molecular FormulaC11H18
Molecular Weight150.26 g/mol
Exact Mass150.14
IUPAC Namecumene;ethane
SMILESCC.CC(C)c1ccccc1
InChIInChI=1S/C9H12.C2H6/c1-8(2)9-6-4-3-5-7-9;1-2/h3-8H,1-2H3;1-2H3
InChIKeySHQHRDPILKDALG-UHFFFAOYSA-N
XLogP3.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.26
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

cumene;ethane;bis(2-methylpropane)
CID 161044029
CID 160506105
CID 160506105
cumene
CID 161227923
benzene;cumene
CID 157215889
propan-2-ylcyclodecapentaene
CID 123508933
chloromethane;cumene;ethane
CID 160847695
cumene;zinc
CID 159490121
cumene;hydrogen peroxide
CID 21225480
cumene;2-methylpropane
CID 90828344
CID 159310434
CID 159310434
cumene;ethane;1-phenylethylbenzene
CID 158118082
cumene;methanethiol
CID 170640582

Frequently Asked Questions

What is the IUPAC name of cumene;ethane?
The IUPAC name of cumene;ethane (CID 54306132) is cumene;ethane.
What is the SMILES notation for cumene;ethane?
The canonical SMILES for cumene;ethane is CC.CC(C)c1ccccc1.
What is the InChIKey of cumene;ethane?
The InChIKey is SHQHRDPILKDALG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12.C2H6/c1-8(2)9-6-4-3-5-7-9;1-2/h3-8H,1-2H3;1-2H3.
What are the key properties of cumene;ethane?
cumene;ethane has a molecular weight of 150.26 g/mol, XLogP of 3.84, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cumene;ethane is sourced from PubChem (CID 54306132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).