1-(4-ethylcyclohexen-1-yl)-4-(4-methylcyclohexen-1-yl)benzene

C21H28 — CID 20538383

IUPAC1-(4-ethylcyclohexen-1-yl)-4-(4-methylcyclohexen-1-yl)benzene
SMILESCCC1CC=C(c2ccc(C3=CCC(C)CC3)cc2)CC1
InChIInChI=1S/C21H28/c1-3-17-6-10-19(11-7-17)21-14-12-20(13-15-21)18-8-4-16(2)5-9-18/h8,10,12-17H,3-7,9,11H2,1-2H3
InChIKeyZULWRROHRSORBJ-UHFFFAOYSA-N
MW280.45 g/mol
LogP6.48
Rot. Bonds3

About 1-(4-ethylcyclohexen-1-yl)-4-(4-methylcyclohexen-1-yl)benzene

1-(4-ethylcyclohexen-1-yl)-4-(4-methylcyclohexen-1-yl)benzene (PubChem CID 20538383) has the molecular formula C21H28 and a molecular weight of 280.45 g/mol. Its IUPAC name is 1-(4-ethylcyclohexen-1-yl)-4-(4-methylcyclohexen-1-yl)benzene.

Molecular Properties

Compound Name1-(4-ethylcyclohexen-1-yl)-4-(4-methylcyclohexen-1-yl)benzene
PubChem CID20538383
Molecular FormulaC21H28
Molecular Weight280.45 g/mol
Exact Mass280.22
IUPAC Name1-(4-ethylcyclohexen-1-yl)-4-(4-methylcyclohexen-1-yl)benzene
SMILESCCC1CC=C(c2ccc(C3=CCC(C)CC3)cc2)CC1
InChIInChI=1S/C21H28/c1-3-17-6-10-19(11-7-17)21-14-12-20(13-15-21)18-8-4-16(2)5-9-18/h8,10,12-17H,3-7,9,11H2,1-2H3
InChIKeyZULWRROHRSORBJ-UHFFFAOYSA-N
XLogP6.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.45
LogP ≤ 56.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylcyclohexen-1-yl)-4-(4-methylcyclohexen-1-yl)benzene?
The IUPAC name of 1-(4-ethylcyclohexen-1-yl)-4-(4-methylcyclohexen-1-yl)benzene (CID 20538383) is 1-(4-ethylcyclohexen-1-yl)-4-(4-methylcyclohexen-1-yl)benzene.
What is the SMILES notation for 1-(4-ethylcyclohexen-1-yl)-4-(4-methylcyclohexen-1-yl)benzene?
The canonical SMILES for 1-(4-ethylcyclohexen-1-yl)-4-(4-methylcyclohexen-1-yl)benzene is CCC1CC=C(c2ccc(C3=CCC(C)CC3)cc2)CC1.
What is the InChIKey of 1-(4-ethylcyclohexen-1-yl)-4-(4-methylcyclohexen-1-yl)benzene?
The InChIKey is ZULWRROHRSORBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28/c1-3-17-6-10-19(11-7-17)21-14-12-20(13-15-21)18-8-4-16(2)5-9-18/h8,10,12-17H,3-7,9,11H2,1-2H3.
What are the key properties of 1-(4-ethylcyclohexen-1-yl)-4-(4-methylcyclohexen-1-yl)benzene?
1-(4-ethylcyclohexen-1-yl)-4-(4-methylcyclohexen-1-yl)benzene has a molecular weight of 280.45 g/mol, XLogP of 6.48, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylcyclohexen-1-yl)-4-(4-methylcyclohexen-1-yl)benzene is sourced from PubChem (CID 20538383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).