2-[1-(2,5-dimethylcyclopenta-1,4-dien-1-yl)ethoxy]oxane

C14H22O2 — CID 69305784

IUPAC2-[1-(2,5-dimethylcyclopenta-1,4-dien-1-yl)ethoxy]oxane
SMILESCC1=CCC(C)=C1C(C)OC1CCCCO1
InChIInChI=1S/C14H22O2/c1-10-7-8-11(2)14(10)12(3)16-13-6-4-5-9-15-13/h7,12-13H,4-6,8-9H2,1-3H3
InChIKeyOWBGSUUCAOPQBF-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.58
Rot. Bonds3

About 2-[1-(2,5-dimethylcyclopenta-1,4-dien-1-yl)ethoxy]oxane

2-[1-(2,5-dimethylcyclopenta-1,4-dien-1-yl)ethoxy]oxane (PubChem CID 69305784) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 2-[1-(2,5-dimethylcyclopenta-1,4-dien-1-yl)ethoxy]oxane.

Molecular Properties

Compound Name2-[1-(2,5-dimethylcyclopenta-1,4-dien-1-yl)ethoxy]oxane
PubChem CID69305784
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name2-[1-(2,5-dimethylcyclopenta-1,4-dien-1-yl)ethoxy]oxane
SMILESCC1=CCC(C)=C1C(C)OC1CCCCO1
InChIInChI=1S/C14H22O2/c1-10-7-8-11(2)14(10)12(3)16-13-6-4-5-9-15-13/h7,12-13H,4-6,8-9H2,1-3H3
InChIKeyOWBGSUUCAOPQBF-UHFFFAOYSA-N
XLogP3.58
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[1-(2,5-dimethylcyclopenta-1,4-dien-1-yl)ethoxy]oxane 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-(2,5-dimethylcyclopenta-1,4-dien-1-yl)ethoxy]oxane?
The IUPAC name of 2-[1-(2,5-dimethylcyclopenta-1,4-dien-1-yl)ethoxy]oxane (CID 69305784) is 2-[1-(2,5-dimethylcyclopenta-1,4-dien-1-yl)ethoxy]oxane.
What is the SMILES notation for 2-[1-(2,5-dimethylcyclopenta-1,4-dien-1-yl)ethoxy]oxane?
The canonical SMILES for 2-[1-(2,5-dimethylcyclopenta-1,4-dien-1-yl)ethoxy]oxane is CC1=CCC(C)=C1C(C)OC1CCCCO1.
What is the InChIKey of 2-[1-(2,5-dimethylcyclopenta-1,4-dien-1-yl)ethoxy]oxane?
The InChIKey is OWBGSUUCAOPQBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c1-10-7-8-11(2)14(10)12(3)16-13-6-4-5-9-15-13/h7,12-13H,4-6,8-9H2,1-3H3.
What are the key properties of 2-[1-(2,5-dimethylcyclopenta-1,4-dien-1-yl)ethoxy]oxane?
2-[1-(2,5-dimethylcyclopenta-1,4-dien-1-yl)ethoxy]oxane has a molecular weight of 222.33 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,5-dimethylcyclopenta-1,4-dien-1-yl)ethoxy]oxane is sourced from PubChem (CID 69305784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).