2-(2,2-dimethoxyethoxy)-1,4-dimethylbenzene

C12H18O3 — CID 5127598

IUPAC2-(2,2-dimethoxyethoxy)-1,4-dimethylbenzene
SMILESCOC(COc1cc(C)ccc1C)OC
InChIInChI=1S/C12H18O3/c1-9-5-6-10(2)11(7-9)15-8-12(13-3)14-4/h5-7,12H,8H2,1-4H3
InChIKeyMZVRITJAZLFDCG-UHFFFAOYSA-N
MW210.27 g/mol
LogP2.30
Rot. Bonds5

About 2-(2,2-dimethoxyethoxy)-1,4-dimethylbenzene

2-(2,2-dimethoxyethoxy)-1,4-dimethylbenzene (PubChem CID 5127598) has the molecular formula C12H18O3 and a molecular weight of 210.27 g/mol. Its IUPAC name is 2-(2,2-dimethoxyethoxy)-1,4-dimethylbenzene.

Molecular Properties

Compound Name2-(2,2-dimethoxyethoxy)-1,4-dimethylbenzene
PubChem CID5127598
Molecular FormulaC12H18O3
Molecular Weight210.27 g/mol
Exact Mass210.13
IUPAC Name2-(2,2-dimethoxyethoxy)-1,4-dimethylbenzene
SMILESCOC(COc1cc(C)ccc1C)OC
InChIInChI=1S/C12H18O3/c1-9-5-6-10(2)11(7-9)15-8-12(13-3)14-4/h5-7,12H,8H2,1-4H3
InChIKeyMZVRITJAZLFDCG-UHFFFAOYSA-N
XLogP2.30
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethoxyethoxy)-1,4-dimethylbenzene?
The IUPAC name of 2-(2,2-dimethoxyethoxy)-1,4-dimethylbenzene (CID 5127598) is 2-(2,2-dimethoxyethoxy)-1,4-dimethylbenzene.
What is the SMILES notation for 2-(2,2-dimethoxyethoxy)-1,4-dimethylbenzene?
The canonical SMILES for 2-(2,2-dimethoxyethoxy)-1,4-dimethylbenzene is COC(COc1cc(C)ccc1C)OC.
What is the InChIKey of 2-(2,2-dimethoxyethoxy)-1,4-dimethylbenzene?
The InChIKey is MZVRITJAZLFDCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O3/c1-9-5-6-10(2)11(7-9)15-8-12(13-3)14-4/h5-7,12H,8H2,1-4H3.
What are the key properties of 2-(2,2-dimethoxyethoxy)-1,4-dimethylbenzene?
2-(2,2-dimethoxyethoxy)-1,4-dimethylbenzene has a molecular weight of 210.27 g/mol, XLogP of 2.30, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethoxyethoxy)-1,4-dimethylbenzene is sourced from PubChem (CID 5127598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).