4-methyl-1-[1-[1-(4-methylcyclohexen-1-yl)ethoxy]ethyl]cyclohexene

C18H30O — CID 22755365

IUPAC4-methyl-1-[1-[1-(4-methylcyclohexen-1-yl)ethoxy]ethyl]cyclohexene
SMILESCC1CC=C(C(C)OC(C)C2=CCC(C)CC2)CC1
InChIInChI=1S/C18H30O/c1-13-5-9-17(10-6-13)15(3)19-16(4)18-11-7-14(2)8-12-18/h9,11,13-16H,5-8,10,12H2,1-4H3
InChIKeyZPSRLKLLFHXKQA-UHFFFAOYSA-N
MW262.44 g/mol
LogP5.27
Rot. Bonds4

About 4-methyl-1-[1-[1-(4-methylcyclohexen-1-yl)ethoxy]ethyl]cyclohexene

4-methyl-1-[1-[1-(4-methylcyclohexen-1-yl)ethoxy]ethyl]cyclohexene (PubChem CID 22755365) has the molecular formula C18H30O and a molecular weight of 262.44 g/mol. Its IUPAC name is 4-methyl-1-[1-[1-(4-methylcyclohexen-1-yl)ethoxy]ethyl]cyclohexene.

Molecular Properties

Compound Name4-methyl-1-[1-[1-(4-methylcyclohexen-1-yl)ethoxy]ethyl]cyclohexene
PubChem CID22755365
Molecular FormulaC18H30O
Molecular Weight262.44 g/mol
Exact Mass262.23
IUPAC Name4-methyl-1-[1-[1-(4-methylcyclohexen-1-yl)ethoxy]ethyl]cyclohexene
SMILESCC1CC=C(C(C)OC(C)C2=CCC(C)CC2)CC1
InChIInChI=1S/C18H30O/c1-13-5-9-17(10-6-13)15(3)19-16(4)18-11-7-14(2)8-12-18/h9,11,13-16H,5-8,10,12H2,1-4H3
InChIKeyZPSRLKLLFHXKQA-UHFFFAOYSA-N
XLogP5.27
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.44
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-methyl-1-[1-[1-(4-methylcyclohexen-1-yl)ethoxy]ethyl]cyclohexene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[1-[1-(4-methylcyclohexen-1-yl)ethoxy]ethyl]cyclohexene?
The IUPAC name of 4-methyl-1-[1-[1-(4-methylcyclohexen-1-yl)ethoxy]ethyl]cyclohexene (CID 22755365) is 4-methyl-1-[1-[1-(4-methylcyclohexen-1-yl)ethoxy]ethyl]cyclohexene.
What is the SMILES notation for 4-methyl-1-[1-[1-(4-methylcyclohexen-1-yl)ethoxy]ethyl]cyclohexene?
The canonical SMILES for 4-methyl-1-[1-[1-(4-methylcyclohexen-1-yl)ethoxy]ethyl]cyclohexene is CC1CC=C(C(C)OC(C)C2=CCC(C)CC2)CC1.
What is the InChIKey of 4-methyl-1-[1-[1-(4-methylcyclohexen-1-yl)ethoxy]ethyl]cyclohexene?
The InChIKey is ZPSRLKLLFHXKQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O/c1-13-5-9-17(10-6-13)15(3)19-16(4)18-11-7-14(2)8-12-18/h9,11,13-16H,5-8,10,12H2,1-4H3.
What are the key properties of 4-methyl-1-[1-[1-(4-methylcyclohexen-1-yl)ethoxy]ethyl]cyclohexene?
4-methyl-1-[1-[1-(4-methylcyclohexen-1-yl)ethoxy]ethyl]cyclohexene has a molecular weight of 262.44 g/mol, XLogP of 5.27, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[1-[1-(4-methylcyclohexen-1-yl)ethoxy]ethyl]cyclohexene is sourced from PubChem (CID 22755365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).