1-ethyl-3-(4-ethylcyclopenta-1,4-dien-1-yl)benzene

C15H18 — CID 139831018

IUPAC1-ethyl-3-(4-ethylcyclopenta-1,4-dien-1-yl)benzene
SMILESCCC1=CC(c2cccc(CC)c2)=CC1
InChIInChI=1S/C15H18/c1-3-12-6-5-7-14(10-12)15-9-8-13(4-2)11-15/h5-7,9-11H,3-4,8H2,1-2H3
InChIKeyGRUVPUDMISBZIG-UHFFFAOYSA-N
MW198.31 g/mol
LogP4.37
Rot. Bonds3

About 1-ethyl-3-(4-ethylcyclopenta-1,4-dien-1-yl)benzene

1-ethyl-3-(4-ethylcyclopenta-1,4-dien-1-yl)benzene (PubChem CID 139831018) has the molecular formula C15H18 and a molecular weight of 198.31 g/mol. Its IUPAC name is 1-ethyl-3-(4-ethylcyclopenta-1,4-dien-1-yl)benzene.

Molecular Properties

Compound Name1-ethyl-3-(4-ethylcyclopenta-1,4-dien-1-yl)benzene
PubChem CID139831018
Molecular FormulaC15H18
Molecular Weight198.31 g/mol
Exact Mass198.14
IUPAC Name1-ethyl-3-(4-ethylcyclopenta-1,4-dien-1-yl)benzene
SMILESCCC1=CC(c2cccc(CC)c2)=CC1
InChIInChI=1S/C15H18/c1-3-12-6-5-7-14(10-12)15-9-8-13(4-2)11-15/h5-7,9-11H,3-4,8H2,1-2H3
InChIKeyGRUVPUDMISBZIG-UHFFFAOYSA-N
XLogP4.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-ethyl-3-(4-ethylcyclopenta-1,4-dien-1-yl)benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(4-ethylcyclopenta-1,4-dien-1-yl)benzene?
The IUPAC name of 1-ethyl-3-(4-ethylcyclopenta-1,4-dien-1-yl)benzene (CID 139831018) is 1-ethyl-3-(4-ethylcyclopenta-1,4-dien-1-yl)benzene.
What is the SMILES notation for 1-ethyl-3-(4-ethylcyclopenta-1,4-dien-1-yl)benzene?
The canonical SMILES for 1-ethyl-3-(4-ethylcyclopenta-1,4-dien-1-yl)benzene is CCC1=CC(c2cccc(CC)c2)=CC1.
What is the InChIKey of 1-ethyl-3-(4-ethylcyclopenta-1,4-dien-1-yl)benzene?
The InChIKey is GRUVPUDMISBZIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18/c1-3-12-6-5-7-14(10-12)15-9-8-13(4-2)11-15/h5-7,9-11H,3-4,8H2,1-2H3.
What are the key properties of 1-ethyl-3-(4-ethylcyclopenta-1,4-dien-1-yl)benzene?
1-ethyl-3-(4-ethylcyclopenta-1,4-dien-1-yl)benzene has a molecular weight of 198.31 g/mol, XLogP of 4.37, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(4-ethylcyclopenta-1,4-dien-1-yl)benzene is sourced from PubChem (CID 139831018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).