1-(4-tert-butylcyclohexen-1-yl)-4-ethylbenzene

C18H26 — CID 90705107

IUPAC1-(4-tert-butylcyclohexen-1-yl)-4-ethylbenzene
SMILESCCc1ccc(C2=CCC(C(C)(C)C)CC2)cc1
InChIInChI=1S/C18H26/c1-5-14-6-8-15(9-7-14)16-10-12-17(13-11-16)18(2,3)4/h6-10,17H,5,11-13H2,1-4H3
InChIKeyDCCJMRYVFJWFBZ-UHFFFAOYSA-N
MW242.41 g/mol
LogP5.48
Rot. Bonds2

About 1-(4-tert-butylcyclohexen-1-yl)-4-ethylbenzene

1-(4-tert-butylcyclohexen-1-yl)-4-ethylbenzene (PubChem CID 90705107) has the molecular formula C18H26 and a molecular weight of 242.41 g/mol. Its IUPAC name is 1-(4-tert-butylcyclohexen-1-yl)-4-ethylbenzene.

Molecular Properties

Compound Name1-(4-tert-butylcyclohexen-1-yl)-4-ethylbenzene
PubChem CID90705107
Molecular FormulaC18H26
Molecular Weight242.41 g/mol
Exact Mass242.20
IUPAC Name1-(4-tert-butylcyclohexen-1-yl)-4-ethylbenzene
SMILESCCc1ccc(C2=CCC(C(C)(C)C)CC2)cc1
InChIInChI=1S/C18H26/c1-5-14-6-8-15(9-7-14)16-10-12-17(13-11-16)18(2,3)4/h6-10,17H,5,11-13H2,1-4H3
InChIKeyDCCJMRYVFJWFBZ-UHFFFAOYSA-N
XLogP5.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500242.41
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-[4-(4-tert-butylcyclohexen-1-yl)phenyl]ethanone
CID 10422561
4-tert-butyl-1-(cyclopenten-1-yl)cyclohexene
CID 102594765
1-(3-chlorocyclopenten-1-yl)-4-ethylbenzene
CID 65174957
4-[4-[2-(4-hydroxyphenyl)heptan-2-yl]cyclohexen-1-yl]phenol
CID 139944982
2-[4-[4-(cyanomethyl)phenyl]cyclohex-3-en-1-yl]hexane-2-sulfonamide
CID 67565303
4-[4-[2-(4-hydroxyphenyl)nonan-2-yl]cyclohexen-1-yl]phenol
CID 139944963
4-[4-[2-(4-hydroxyphenyl)-4-methylhexan-2-yl]cyclohexen-1-yl]phenol
CID 139945026
1-bromo-4-tert-butylcyclohexene
CID 11469993
4-tert-butyl-1-methylcyclohexene;ethane
CID 143859971
4-tert-butyl-1-ethynylcyclohexene
CID 15783605
N-[5-(4-tert-butylcyclohexen-1-yl)-1,3-benzothiazol-2-yl]acetamide
CID 173185653
N'-amino-6-[4-(4-tert-butylcyclohexen-1-yl)phenyl]-4-(5-ethylthiophen-2-yl)-2-oxo-1H-pyridine-3-carboximidamide
CID 137279830

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylcyclohexen-1-yl)-4-ethylbenzene?
The IUPAC name of 1-(4-tert-butylcyclohexen-1-yl)-4-ethylbenzene (CID 90705107) is 1-(4-tert-butylcyclohexen-1-yl)-4-ethylbenzene.
What is the SMILES notation for 1-(4-tert-butylcyclohexen-1-yl)-4-ethylbenzene?
The canonical SMILES for 1-(4-tert-butylcyclohexen-1-yl)-4-ethylbenzene is CCc1ccc(C2=CCC(C(C)(C)C)CC2)cc1.
What is the InChIKey of 1-(4-tert-butylcyclohexen-1-yl)-4-ethylbenzene?
The InChIKey is DCCJMRYVFJWFBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26/c1-5-14-6-8-15(9-7-14)16-10-12-17(13-11-16)18(2,3)4/h6-10,17H,5,11-13H2,1-4H3.
What are the key properties of 1-(4-tert-butylcyclohexen-1-yl)-4-ethylbenzene?
1-(4-tert-butylcyclohexen-1-yl)-4-ethylbenzene has a molecular weight of 242.41 g/mol, XLogP of 5.48, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylcyclohexen-1-yl)-4-ethylbenzene is sourced from PubChem (CID 90705107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).