2-[1-(3,5-diethyl-1-methylcyclohex-2-en-1-yl)ethoxy]ethanol

C15H28O2 — CID 123608533

IUPAC2-[1-(3,5-diethyl-1-methylcyclohex-2-en-1-yl)ethoxy]ethanol
SMILESCCC1=CC(C)(C(C)OCCO)CC(CC)C1
InChIInChI=1S/C15H28O2/c1-5-13-9-14(6-2)11-15(4,10-13)12(3)17-8-7-16/h10,12,14,16H,5-9,11H2,1-4H3
InChIKeyPJGKLYCMWGZLRD-UHFFFAOYSA-N
MW240.39 g/mol
LogP3.55
Rot. Bonds6

About 2-[1-(3,5-diethyl-1-methylcyclohex-2-en-1-yl)ethoxy]ethanol

2-[1-(3,5-diethyl-1-methylcyclohex-2-en-1-yl)ethoxy]ethanol (PubChem CID 123608533) has the molecular formula C15H28O2 and a molecular weight of 240.39 g/mol. Its IUPAC name is 2-[1-(3,5-diethyl-1-methylcyclohex-2-en-1-yl)ethoxy]ethanol.

Molecular Properties

Compound Name2-[1-(3,5-diethyl-1-methylcyclohex-2-en-1-yl)ethoxy]ethanol
PubChem CID123608533
Molecular FormulaC15H28O2
Molecular Weight240.39 g/mol
Exact Mass240.21
IUPAC Name2-[1-(3,5-diethyl-1-methylcyclohex-2-en-1-yl)ethoxy]ethanol
SMILESCCC1=CC(C)(C(C)OCCO)CC(CC)C1
InChIInChI=1S/C15H28O2/c1-5-13-9-14(6-2)11-15(4,10-13)12(3)17-8-7-16/h10,12,14,16H,5-9,11H2,1-4H3
InChIKeyPJGKLYCMWGZLRD-UHFFFAOYSA-N
XLogP3.55
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[1-(3,5-diethyl-1-methylcyclohex-2-en-1-yl)ethoxy]ethanol 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 2-[1-(3,5-diethyl-1-methylcyclohex-2-en-1-yl)ethoxy]ethanol?
The IUPAC name of 2-[1-(3,5-diethyl-1-methylcyclohex-2-en-1-yl)ethoxy]ethanol (CID 123608533) is 2-[1-(3,5-diethyl-1-methylcyclohex-2-en-1-yl)ethoxy]ethanol.
What is the SMILES notation for 2-[1-(3,5-diethyl-1-methylcyclohex-2-en-1-yl)ethoxy]ethanol?
The canonical SMILES for 2-[1-(3,5-diethyl-1-methylcyclohex-2-en-1-yl)ethoxy]ethanol is CCC1=CC(C)(C(C)OCCO)CC(CC)C1.
What is the InChIKey of 2-[1-(3,5-diethyl-1-methylcyclohex-2-en-1-yl)ethoxy]ethanol?
The InChIKey is PJGKLYCMWGZLRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O2/c1-5-13-9-14(6-2)11-15(4,10-13)12(3)17-8-7-16/h10,12,14,16H,5-9,11H2,1-4H3.
What are the key properties of 2-[1-(3,5-diethyl-1-methylcyclohex-2-en-1-yl)ethoxy]ethanol?
2-[1-(3,5-diethyl-1-methylcyclohex-2-en-1-yl)ethoxy]ethanol has a molecular weight of 240.39 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,5-diethyl-1-methylcyclohex-2-en-1-yl)ethoxy]ethanol is sourced from PubChem (CID 123608533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).