cumene;ethylbenzene;methane

C18H26 — CID 159529846

IUPACcumene;ethylbenzene;methane
SMILESC.CC(C)c1ccccc1.CCc1ccccc1
InChIInChI=1S/C9H12.C8H10.CH4/c1-8(2)9-6-4-3-5-7-9;1-2-8-6-4-3-5-7-8;/h3-8H,1-2H3;3-7H,2H2,1H3;1H4
InChIKeyMCVUYYNRLFJIAR-UHFFFAOYSA-N
MW242.41 g/mol
LogP5.70
Rot. Bonds2

About cumene;ethylbenzene;methane

cumene;ethylbenzene;methane (PubChem CID 159529846) has the molecular formula C18H26 and a molecular weight of 242.41 g/mol. Its IUPAC name is cumene;ethylbenzene;methane.

Molecular Properties

Compound Namecumene;ethylbenzene;methane
PubChem CID159529846
Molecular FormulaC18H26
Molecular Weight242.41 g/mol
Exact Mass242.20
IUPAC Namecumene;ethylbenzene;methane
SMILESC.CC(C)c1ccccc1.CCc1ccccc1
InChIInChI=1S/C9H12.C8H10.CH4/c1-8(2)9-6-4-3-5-7-9;1-2-8-6-4-3-5-7-8;/h3-8H,1-2H3;3-7H,2H2,1H3;1H4
InChIKeyMCVUYYNRLFJIAR-UHFFFAOYSA-N
XLogP5.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500242.41
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 145053715
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Frequently Asked Questions

What is the IUPAC name of cumene;ethylbenzene;methane?
The IUPAC name of cumene;ethylbenzene;methane (CID 159529846) is cumene;ethylbenzene;methane.
What is the SMILES notation for cumene;ethylbenzene;methane?
The canonical SMILES for cumene;ethylbenzene;methane is C.CC(C)c1ccccc1.CCc1ccccc1.
What is the InChIKey of cumene;ethylbenzene;methane?
The InChIKey is MCVUYYNRLFJIAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12.C8H10.CH4/c1-8(2)9-6-4-3-5-7-9;1-2-8-6-4-3-5-7-8;/h3-8H,1-2H3;3-7H,2H2,1H3;1H4.
What are the key properties of cumene;ethylbenzene;methane?
cumene;ethylbenzene;methane has a molecular weight of 242.41 g/mol, XLogP of 5.70, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cumene;ethylbenzene;methane is sourced from PubChem (CID 159529846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).