cumene;ethane;methane;propylbenzene

C21H34 — CID 142505404

IUPACcumene;ethane;methane;propylbenzene
SMILESC.CC.CC(C)c1ccccc1.CCCc1ccccc1
InChIInChI=1S/2C9H12.C2H6.CH4/c1-8(2)9-6-4-3-5-7-9;1-2-6-9-7-4-3-5-8-9;1-2;/h3-8H,1-2H3;3-5,7-8H,2,6H2,1H3;1-2H3;1H4
InChIKeyHEXBXRDXCIOCMD-UHFFFAOYSA-N
MW286.50 g/mol
LogP7.11
Rot. Bonds3

About cumene;ethane;methane;propylbenzene

cumene;ethane;methane;propylbenzene (PubChem CID 142505404) has the molecular formula C21H34 and a molecular weight of 286.50 g/mol. Its IUPAC name is cumene;ethane;methane;propylbenzene.

Molecular Properties

Compound Namecumene;ethane;methane;propylbenzene
PubChem CID142505404
Molecular FormulaC21H34
Molecular Weight286.50 g/mol
Exact Mass286.27
IUPAC Namecumene;ethane;methane;propylbenzene
SMILESC.CC.CC(C)c1ccccc1.CCCc1ccccc1
InChIInChI=1S/2C9H12.C2H6.CH4/c1-8(2)9-6-4-3-5-7-9;1-2-6-9-7-4-3-5-8-9;1-2;/h3-8H,1-2H3;3-5,7-8H,2,6H2,1H3;1-2H3;1H4
InChIKeyHEXBXRDXCIOCMD-UHFFFAOYSA-N
XLogP7.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.50
LogP ≤ 57.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,4-di(propan-2-yl)benzene;propylbenzene
CID 174543060
cumene;ethylbenzene;methane
CID 159529846
propylbenzene tetraiodide
CID 23321652
propylbenzene;hydrobromide
CID 70024036
cumene;ethane
CID 54306132
cumene;1-hexyl-4-propan-2-ylbenzene;methane;propane
CID 157275582
carbanide;ethane;lanthanum;propane;propylbenzene
CID 161064679
ethane;ethylbenzene;propylbenzene
CID 153343160
1-bromopropane;propylbenzene
CID 158382353
ethane;ethylbenzene;propylbenzene
CID 144852867
CID 159310434
CID 159310434
potassium;hydride;propylbenzene
CID 174749122

Frequently Asked Questions

What is the IUPAC name of cumene;ethane;methane;propylbenzene?
The IUPAC name of cumene;ethane;methane;propylbenzene (CID 142505404) is cumene;ethane;methane;propylbenzene.
What is the SMILES notation for cumene;ethane;methane;propylbenzene?
The canonical SMILES for cumene;ethane;methane;propylbenzene is C.CC.CC(C)c1ccccc1.CCCc1ccccc1.
What is the InChIKey of cumene;ethane;methane;propylbenzene?
The InChIKey is HEXBXRDXCIOCMD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H12.C2H6.CH4/c1-8(2)9-6-4-3-5-7-9;1-2-6-9-7-4-3-5-8-9;1-2;/h3-8H,1-2H3;3-5,7-8H,2,6H2,1H3;1-2H3;1H4.
What are the key properties of cumene;ethane;methane;propylbenzene?
cumene;ethane;methane;propylbenzene has a molecular weight of 286.50 g/mol, XLogP of 7.11, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cumene;ethane;methane;propylbenzene is sourced from PubChem (CID 142505404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).