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

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Related Compounds

CID 143725407
CID 143725407
1-benzyl-4-[[3-(3-methylphenyl)cyclopenta-1,3-dien-1-yl]methyl]benzene
CID 59994233
1-ethyl-3-(3-ethylphenyl)benzene;methanediamine
CID 134305122
2-(3-ethylphenyl)-5-fluorocyclohepta-1,3,5-triene
CID 142869489
1-ethyl-3-phenylbenzene;propane
CID 145466525
1-(cyclopenten-1-yl)-3-ethylbenzene
CID 150038246
5-(3-ethylphenyl)-2,3-dihydrothiophene
CID 142267834
(3-ethylphenyl)phosphanium chloride
CID 172678220
1-ethyl-3-[4-(iodomethyl)phenyl]benzene
CID 138533012
1,4-diethyl-2-(3-ethylphenyl)benzene
CID 102240202
1-(3-bromophenyl)-4-(3-ethylphenyl)benzene
CID 143388635
4-(3-ethylphenyl)-2-phenylpyridine
CID 140601349

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).