1-ethyl-4-(4-methylcyclohexyl)cyclohexene

C15H26 — CID 148827626

IUPAC1-ethyl-4-(4-methylcyclohexyl)cyclohexene
SMILESCCC1=CCC(C2CCC(C)CC2)CC1
InChIInChI=1S/C15H26/c1-3-13-6-10-15(11-7-13)14-8-4-12(2)5-9-14/h6,12,14-15H,3-5,7-11H2,1-2H3
InChIKeyOTAUGGMEABLGBG-UHFFFAOYSA-N
MW206.37 g/mol
LogP4.95
Rot. Bonds2

About 1-ethyl-4-(4-methylcyclohexyl)cyclohexene

1-ethyl-4-(4-methylcyclohexyl)cyclohexene (PubChem CID 148827626) has the molecular formula C15H26 and a molecular weight of 206.37 g/mol. Its IUPAC name is 1-ethyl-4-(4-methylcyclohexyl)cyclohexene.

Molecular Properties

Compound Name1-ethyl-4-(4-methylcyclohexyl)cyclohexene
PubChem CID148827626
Molecular FormulaC15H26
Molecular Weight206.37 g/mol
Exact Mass206.20
IUPAC Name1-ethyl-4-(4-methylcyclohexyl)cyclohexene
SMILESCCC1=CCC(C2CCC(C)CC2)CC1
InChIInChI=1S/C15H26/c1-3-13-6-10-15(11-7-13)14-8-4-12(2)5-9-14/h6,12,14-15H,3-5,7-11H2,1-2H3
InChIKeyOTAUGGMEABLGBG-UHFFFAOYSA-N
XLogP4.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.37
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-(4-methylcyclohexyl)cyclohexen-1-ol
CID 145005896
tetrakis(1,4-bis(4-methylcyclohexyl)cyclohexane);pentakis(1-methyl-4-(4-methylcyclohexyl)cyclohexane);1-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexene;molecular hydrogen;dodecahydrate
CID 161058057
[4-(4-methylcyclohexyl)cyclohexen-1-yl]boronic acid
CID 145005860
4-[4-(4-pentylcyclohexyl)cyclohexyl]-1-[[4-[4-(4-pentylcyclohexyl)cyclohexyl]cyclohexen-1-yl]methoxymethyl]cyclohexene
CID 139803732
4-(4-methylcyclohexyl)-1-(5-methylhexan-2-yl)cyclohexene
CID 153333927
1-but-3-enyl-4-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]cyclohexene
CID 21464605
1-ethyl-4-(2-methylpentan-2-yl)cyclohexene
CID 142221841
1-ethyl-4-[2-[4-(4-hexylcyclohexyl)cyclohexen-1-yl]ethyl]benzene
CID 18647721
6-methyl-3-[4-(4-methylcyclohexyl)cyclohexyl]-3,4-dihydro-2H-pyran
CID 118583459
2-[4-(4-methylcyclohexyl)cyclohexen-1-yl]-5-(trifluoromethyl)thiophene
CID 147976403
3,4-difluoro-5-[4-(4-methylcyclohexyl)cyclohexen-1-yl]hexan-2-ol;ethane
CID 142421435
1-propyl-4-[4-[4-[2-[2-[4-[4-(4-propylphenyl)cyclohexyl]cyclohexen-1-yl]ethoxy]ethyl]cyclohex-3-en-1-yl]cyclohexyl]benzene
CID 139803649

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-(4-methylcyclohexyl)cyclohexene?
The IUPAC name of 1-ethyl-4-(4-methylcyclohexyl)cyclohexene (CID 148827626) is 1-ethyl-4-(4-methylcyclohexyl)cyclohexene.
What is the SMILES notation for 1-ethyl-4-(4-methylcyclohexyl)cyclohexene?
The canonical SMILES for 1-ethyl-4-(4-methylcyclohexyl)cyclohexene is CCC1=CCC(C2CCC(C)CC2)CC1.
What is the InChIKey of 1-ethyl-4-(4-methylcyclohexyl)cyclohexene?
The InChIKey is OTAUGGMEABLGBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26/c1-3-13-6-10-15(11-7-13)14-8-4-12(2)5-9-14/h6,12,14-15H,3-5,7-11H2,1-2H3.
What are the key properties of 1-ethyl-4-(4-methylcyclohexyl)cyclohexene?
1-ethyl-4-(4-methylcyclohexyl)cyclohexene has a molecular weight of 206.37 g/mol, XLogP of 4.95, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(4-methylcyclohexyl)cyclohexene is sourced from PubChem (CID 148827626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).