2-(1-ethylcyclohexa-2,4-dien-1-yl)-1,4-dimethylbenzene

C16H20 — CID 175474100

IUPAC2-(1-ethylcyclohexa-2,4-dien-1-yl)-1,4-dimethylbenzene
SMILESCCC1(c2cc(C)ccc2C)C=CC=CC1
InChIInChI=1S/C16H20/c1-4-16(10-6-5-7-11-16)15-12-13(2)8-9-14(15)3/h5-10,12H,4,11H2,1-3H3
InChIKeyPUXOUHKTMULBAG-UHFFFAOYSA-N
MW212.34 g/mol
LogP4.47
Rot. Bonds2

About 2-(1-ethylcyclohexa-2,4-dien-1-yl)-1,4-dimethylbenzene

2-(1-ethylcyclohexa-2,4-dien-1-yl)-1,4-dimethylbenzene (PubChem CID 175474100) has the molecular formula C16H20 and a molecular weight of 212.34 g/mol. Its IUPAC name is 2-(1-ethylcyclohexa-2,4-dien-1-yl)-1,4-dimethylbenzene.

Molecular Properties

Compound Name2-(1-ethylcyclohexa-2,4-dien-1-yl)-1,4-dimethylbenzene
PubChem CID175474100
Molecular FormulaC16H20
Molecular Weight212.34 g/mol
Exact Mass212.16
IUPAC Name2-(1-ethylcyclohexa-2,4-dien-1-yl)-1,4-dimethylbenzene
SMILESCCC1(c2cc(C)ccc2C)C=CC=CC1
InChIInChI=1S/C16H20/c1-4-16(10-6-5-7-11-16)15-12-13(2)8-9-14(15)3/h5-10,12H,4,11H2,1-3H3
InChIKeyPUXOUHKTMULBAG-UHFFFAOYSA-N
XLogP4.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

[(1S)-1-(4-methylphenyl)cyclohexa-2,4-dien-1-yl]methanol
CID 141234682
1-chloro-4-(1-ethylcyclohexa-2,4-dien-1-yl)benzene
CID 151274526
2-chloro-4-methyl-1-[1-(2-phenylethyl)cyclohexa-2,4-dien-1-yl]benzene
CID 175829349
[1-(2-methylphenyl)cyclohexa-2,4-dien-1-yl]methyl-diphenylphosphane
CID 67855061
[1-(4-methyl-1H-pyrrol-2-yl)cyclohexa-2,4-dien-1-yl]methanol
CID 172555848
4-[1-(3,4-dimethylphenyl)cyclohexa-2,4-dien-1-yl]-1,2-dimethylbenzene
CID 172762408
[1-(2,5-dimethylphenyl)cyclopentyl]methanamine
CID 82491829
1-[(1R)-1-ethylcyclohexa-2,4-dien-1-yl]-2,5-dimethylpyrrole
CID 175362823
2-[2-(chloromethyl)-1-methylcyclopropyl]-1,4-dimethylbenzene
CID 81358320
1-(2,5-dimethylphenyl)cycloheptan-1-ol
CID 62548506
1-[1-(2,5-dimethylphenyl)cyclopentyl]-N-methylmethanamine
CID 82471973
3-(2,5-dimethylphenyl)-1-ethylpyrrolidin-3-ol
CID 165403438

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylcyclohexa-2,4-dien-1-yl)-1,4-dimethylbenzene?
The IUPAC name of 2-(1-ethylcyclohexa-2,4-dien-1-yl)-1,4-dimethylbenzene (CID 175474100) is 2-(1-ethylcyclohexa-2,4-dien-1-yl)-1,4-dimethylbenzene.
What is the SMILES notation for 2-(1-ethylcyclohexa-2,4-dien-1-yl)-1,4-dimethylbenzene?
The canonical SMILES for 2-(1-ethylcyclohexa-2,4-dien-1-yl)-1,4-dimethylbenzene is CCC1(c2cc(C)ccc2C)C=CC=CC1.
What is the InChIKey of 2-(1-ethylcyclohexa-2,4-dien-1-yl)-1,4-dimethylbenzene?
The InChIKey is PUXOUHKTMULBAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20/c1-4-16(10-6-5-7-11-16)15-12-13(2)8-9-14(15)3/h5-10,12H,4,11H2,1-3H3.
What are the key properties of 2-(1-ethylcyclohexa-2,4-dien-1-yl)-1,4-dimethylbenzene?
2-(1-ethylcyclohexa-2,4-dien-1-yl)-1,4-dimethylbenzene has a molecular weight of 212.34 g/mol, XLogP of 4.47, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylcyclohexa-2,4-dien-1-yl)-1,4-dimethylbenzene is sourced from PubChem (CID 175474100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).