2-(2,4-diethylcyclopenta-1,4-dien-1-yl)ethylbenzene

C17H22 — CID 18798349

IUPAC2-(2,4-diethylcyclopenta-1,4-dien-1-yl)ethylbenzene
SMILESCCC1=CC(CCc2ccccc2)=C(CC)C1
InChIInChI=1S/C17H22/c1-3-14-12-16(4-2)17(13-14)11-10-15-8-6-5-7-9-15/h5-9,13H,3-4,10-12H2,1-2H3
InChIKeyMTIWZDWJNVUMPM-UHFFFAOYSA-N
MW226.36 g/mol
LogP5.07
Rot. Bonds5

About 2-(2,4-diethylcyclopenta-1,4-dien-1-yl)ethylbenzene

2-(2,4-diethylcyclopenta-1,4-dien-1-yl)ethylbenzene (PubChem CID 18798349) has the molecular formula C17H22 and a molecular weight of 226.36 g/mol. Its IUPAC name is 2-(2,4-diethylcyclopenta-1,4-dien-1-yl)ethylbenzene.

Molecular Properties

Compound Name2-(2,4-diethylcyclopenta-1,4-dien-1-yl)ethylbenzene
PubChem CID18798349
Molecular FormulaC17H22
Molecular Weight226.36 g/mol
Exact Mass226.17
IUPAC Name2-(2,4-diethylcyclopenta-1,4-dien-1-yl)ethylbenzene
SMILESCCC1=CC(CCc2ccccc2)=C(CC)C1
InChIInChI=1S/C17H22/c1-3-14-12-16(4-2)17(13-14)11-10-15-8-6-5-7-9-15/h5-9,13H,3-4,10-12H2,1-2H3
InChIKeyMTIWZDWJNVUMPM-UHFFFAOYSA-N
XLogP5.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500226.36
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-(2,4-dibutylcyclopenta-1,4-dien-1-yl)ethylbenzene
CID 18798401
benzene;2-phenylethylbenzene
CID 18982764
ethane;methane;2-phenylethylbenzene
CID 158652330
hafnium;2-phenylethylbenzene
CID 173109801
alumane;2-phenylethylbenzene;hydrobromide
CID 173446278
ethylcyclodecapentaene
CID 90861705
propylbenzene;hydrobromide
CID 70024036
propylbenzene tetraiodide
CID 23321652
ethane;ethylbenzene;propylbenzene
CID 153343160
ethane;ethylbenzene;propylbenzene
CID 144852867
1,3-diethyl-2-(2-phenylethyl)benzene
CID 14325369
1-ethyl-3-(2-phenylethyl)benzene;molecular hydrogen
CID 142077285

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-diethylcyclopenta-1,4-dien-1-yl)ethylbenzene?
The IUPAC name of 2-(2,4-diethylcyclopenta-1,4-dien-1-yl)ethylbenzene (CID 18798349) is 2-(2,4-diethylcyclopenta-1,4-dien-1-yl)ethylbenzene.
What is the SMILES notation for 2-(2,4-diethylcyclopenta-1,4-dien-1-yl)ethylbenzene?
The canonical SMILES for 2-(2,4-diethylcyclopenta-1,4-dien-1-yl)ethylbenzene is CCC1=CC(CCc2ccccc2)=C(CC)C1.
What is the InChIKey of 2-(2,4-diethylcyclopenta-1,4-dien-1-yl)ethylbenzene?
The InChIKey is MTIWZDWJNVUMPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22/c1-3-14-12-16(4-2)17(13-14)11-10-15-8-6-5-7-9-15/h5-9,13H,3-4,10-12H2,1-2H3.
What are the key properties of 2-(2,4-diethylcyclopenta-1,4-dien-1-yl)ethylbenzene?
2-(2,4-diethylcyclopenta-1,4-dien-1-yl)ethylbenzene has a molecular weight of 226.36 g/mol, XLogP of 5.07, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-diethylcyclopenta-1,4-dien-1-yl)ethylbenzene is sourced from PubChem (CID 18798349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).