1-(3,5-dimethylcyclopenta-1,4-dien-1-yl)-2-ethylbenzene

C15H18 — CID 21261103

IUPAC1-(3,5-dimethylcyclopenta-1,4-dien-1-yl)-2-ethylbenzene
SMILESCCc1ccccc1C1=CC(C)C=C1C
InChIInChI=1S/C15H18/c1-4-13-7-5-6-8-14(13)15-10-11(2)9-12(15)3/h5-11H,4H2,1-3H3
InChIKeyPEHAOPZKOCKZIA-UHFFFAOYSA-N
MW198.31 g/mol
LogP4.23
Rot. Bonds2

About 1-(3,5-dimethylcyclopenta-1,4-dien-1-yl)-2-ethylbenzene

1-(3,5-dimethylcyclopenta-1,4-dien-1-yl)-2-ethylbenzene (PubChem CID 21261103) has the molecular formula C15H18 and a molecular weight of 198.31 g/mol. Its IUPAC name is 1-(3,5-dimethylcyclopenta-1,4-dien-1-yl)-2-ethylbenzene.

Molecular Properties

Compound Name1-(3,5-dimethylcyclopenta-1,4-dien-1-yl)-2-ethylbenzene
PubChem CID21261103
Molecular FormulaC15H18
Molecular Weight198.31 g/mol
Exact Mass198.14
IUPAC Name1-(3,5-dimethylcyclopenta-1,4-dien-1-yl)-2-ethylbenzene
SMILESCCc1ccccc1C1=CC(C)C=C1C
InChIInChI=1S/C15H18/c1-4-13-7-5-6-8-14(13)15-10-11(2)9-12(15)3/h5-11H,4H2,1-3H3
InChIKeyPEHAOPZKOCKZIA-UHFFFAOYSA-N
XLogP4.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(2,4-dimethylcyclopenta-1,3-dien-1-yl)-2-ethylbenzene
CID 23015065
4,6-dichloro-2-(2-ethylphenyl)-5-methylpyrimidine
CID 55217796
1,2-diethylbenzene;hydrobromide
CID 174973685
ethane;bis(1-ethyl-2-phenylbenzene);propane
CID 145452261
1,2-diethylbenzene;1,4-dimethylcyclohexane
CID 142228373
1-benzyl-2-(2-ethylphenyl)benzene
CID 20510866
3,5-diethyl-4-(2-ethylphenyl)benzene-1,2-diol
CID 101302759
4,6-dichloro-2-(2-ethylphenyl)pyrimidine
CID 63612271
2,3-diethylbiphenylene
CID 134993289
benzene;1,2-diethylbenzene;1,2-xylene
CID 174742983
acetic acid;1-ethyl-2-phenylbenzene
CID 67681814
2-(2-ethylphenyl)-1-methylcyclohexa-1,3-dien-5-yne
CID 142342996

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylcyclopenta-1,4-dien-1-yl)-2-ethylbenzene?
The IUPAC name of 1-(3,5-dimethylcyclopenta-1,4-dien-1-yl)-2-ethylbenzene (CID 21261103) is 1-(3,5-dimethylcyclopenta-1,4-dien-1-yl)-2-ethylbenzene.
What is the SMILES notation for 1-(3,5-dimethylcyclopenta-1,4-dien-1-yl)-2-ethylbenzene?
The canonical SMILES for 1-(3,5-dimethylcyclopenta-1,4-dien-1-yl)-2-ethylbenzene is CCc1ccccc1C1=CC(C)C=C1C.
What is the InChIKey of 1-(3,5-dimethylcyclopenta-1,4-dien-1-yl)-2-ethylbenzene?
The InChIKey is PEHAOPZKOCKZIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18/c1-4-13-7-5-6-8-14(13)15-10-11(2)9-12(15)3/h5-11H,4H2,1-3H3.
What are the key properties of 1-(3,5-dimethylcyclopenta-1,4-dien-1-yl)-2-ethylbenzene?
1-(3,5-dimethylcyclopenta-1,4-dien-1-yl)-2-ethylbenzene has a molecular weight of 198.31 g/mol, XLogP of 4.23, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylcyclopenta-1,4-dien-1-yl)-2-ethylbenzene is sourced from PubChem (CID 21261103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).