1-(2,2-diethoxyethoxy)-3,5-dimethylbenzene

C14H22O3 — CID 12661792

IUPAC1-(2,2-diethoxyethoxy)-3,5-dimethylbenzene
SMILESCCOC(COc1cc(C)cc(C)c1)OCC
InChIInChI=1S/C14H22O3/c1-5-15-14(16-6-2)10-17-13-8-11(3)7-12(4)9-13/h7-9,14H,5-6,10H2,1-4H3
InChIKeyWDLJZEYCKQZSJF-UHFFFAOYSA-N
MW238.33 g/mol
LogP3.08
Rot. Bonds7

About 1-(2,2-diethoxyethoxy)-3,5-dimethylbenzene

1-(2,2-diethoxyethoxy)-3,5-dimethylbenzene (PubChem CID 12661792) has the molecular formula C14H22O3 and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-(2,2-diethoxyethoxy)-3,5-dimethylbenzene.

Molecular Properties

Compound Name1-(2,2-diethoxyethoxy)-3,5-dimethylbenzene
PubChem CID12661792
Molecular FormulaC14H22O3
Molecular Weight238.33 g/mol
Exact Mass238.16
IUPAC Name1-(2,2-diethoxyethoxy)-3,5-dimethylbenzene
SMILESCCOC(COc1cc(C)cc(C)c1)OCC
InChIInChI=1S/C14H22O3/c1-5-15-14(16-6-2)10-17-13-8-11(3)7-12(4)9-13/h7-9,14H,5-6,10H2,1-4H3
InChIKeyWDLJZEYCKQZSJF-UHFFFAOYSA-N
XLogP3.08
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1-(2,2-diethoxyethoxy)-3,5-dimethylbenzene 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 1-(2,2-diethoxyethoxy)-3,5-dimethylbenzene?
The IUPAC name of 1-(2,2-diethoxyethoxy)-3,5-dimethylbenzene (CID 12661792) is 1-(2,2-diethoxyethoxy)-3,5-dimethylbenzene.
What is the SMILES notation for 1-(2,2-diethoxyethoxy)-3,5-dimethylbenzene?
The canonical SMILES for 1-(2,2-diethoxyethoxy)-3,5-dimethylbenzene is CCOC(COc1cc(C)cc(C)c1)OCC.
What is the InChIKey of 1-(2,2-diethoxyethoxy)-3,5-dimethylbenzene?
The InChIKey is WDLJZEYCKQZSJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O3/c1-5-15-14(16-6-2)10-17-13-8-11(3)7-12(4)9-13/h7-9,14H,5-6,10H2,1-4H3.
What are the key properties of 1-(2,2-diethoxyethoxy)-3,5-dimethylbenzene?
1-(2,2-diethoxyethoxy)-3,5-dimethylbenzene has a molecular weight of 238.33 g/mol, XLogP of 3.08, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-diethoxyethoxy)-3,5-dimethylbenzene is sourced from PubChem (CID 12661792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).