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

C16H20 — CID 139929586

IUPAC1-(2,4-diethylcyclopenta-1,4-dien-1-yl)-4-methylbenzene
SMILESCCC1=CC(c2ccc(C)cc2)=C(CC)C1
InChIInChI=1S/C16H20/c1-4-13-10-14(5-2)16(11-13)15-8-6-12(3)7-9-15/h6-9,11H,4-5,10H2,1-3H3
InChIKeyUJDRYGKWYXLPJR-UHFFFAOYSA-N
MW212.34 g/mol
LogP4.90
Rot. Bonds3

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

1-(2,4-diethylcyclopenta-1,4-dien-1-yl)-4-methylbenzene (PubChem CID 139929586) has the molecular formula C16H20 and a molecular weight of 212.34 g/mol. Its IUPAC name is 1-(2,4-diethylcyclopenta-1,4-dien-1-yl)-4-methylbenzene.

Molecular Properties

Compound Name1-(2,4-diethylcyclopenta-1,4-dien-1-yl)-4-methylbenzene
PubChem CID139929586
Molecular FormulaC16H20
Molecular Weight212.34 g/mol
Exact Mass212.16
IUPAC Name1-(2,4-diethylcyclopenta-1,4-dien-1-yl)-4-methylbenzene
SMILESCCC1=CC(c2ccc(C)cc2)=C(CC)C1
InChIInChI=1S/C16H20/c1-4-13-10-14(5-2)16(11-13)15-8-6-12(3)7-9-15/h6-9,11H,4-5,10H2,1-3H3
InChIKeyUJDRYGKWYXLPJR-UHFFFAOYSA-N
XLogP4.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(2,4-diethylcyclopenta-1,4-dien-1-yl)-4-fluorobenzene
CID 139929594
2-ethyl-7-(4-methylphenyl)-1H-indene
CID 57273568
2-ethyl-7-methyl-4-(4-methylphenyl)-1H-indene
CID 87521684
2-(2,4-diethylcyclopenta-1,4-dien-1-yl)ethylbenzene
CID 18798349
methane;propane;1,4-xylene
CID 143560264
methane;propane;1,4-xylene
CID 160778309
2-bromo-4-ethyl-1-methylcyclopenta-1,3-diene
CID 118654081
4-(3,4-dimethylphenyl)-2-ethyl-7-methyl-1H-indene
CID 87984166
molecular hydrogen;propane;1,4-xylene
CID 170763925
1-ethyl-4-methylbenzene;propane
CID 144580802
bis(1-ethyl-4-methylbenzene);hydrate
CID 175281588
2-ethyl-4,5,6,7-tetramethyl-1H-indene
CID 22463170

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-diethylcyclopenta-1,4-dien-1-yl)-4-methylbenzene?
The IUPAC name of 1-(2,4-diethylcyclopenta-1,4-dien-1-yl)-4-methylbenzene (CID 139929586) is 1-(2,4-diethylcyclopenta-1,4-dien-1-yl)-4-methylbenzene.
What is the SMILES notation for 1-(2,4-diethylcyclopenta-1,4-dien-1-yl)-4-methylbenzene?
The canonical SMILES for 1-(2,4-diethylcyclopenta-1,4-dien-1-yl)-4-methylbenzene is CCC1=CC(c2ccc(C)cc2)=C(CC)C1.
What is the InChIKey of 1-(2,4-diethylcyclopenta-1,4-dien-1-yl)-4-methylbenzene?
The InChIKey is UJDRYGKWYXLPJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20/c1-4-13-10-14(5-2)16(11-13)15-8-6-12(3)7-9-15/h6-9,11H,4-5,10H2,1-3H3.
What are the key properties of 1-(2,4-diethylcyclopenta-1,4-dien-1-yl)-4-methylbenzene?
1-(2,4-diethylcyclopenta-1,4-dien-1-yl)-4-methylbenzene has a molecular weight of 212.34 g/mol, XLogP of 4.90, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-diethylcyclopenta-1,4-dien-1-yl)-4-methylbenzene is sourced from PubChem (CID 139929586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).