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

C14H22O3 — CID 13416780

IUPAC2-(2,2-diethoxyethoxy)-1,3-dimethylbenzene
SMILESCCOC(COc1c(C)cccc1C)OCC
InChIInChI=1S/C14H22O3/c1-5-15-13(16-6-2)10-17-14-11(3)8-7-9-12(14)4/h7-9,13H,5-6,10H2,1-4H3
InChIKeyZNANXJOSAHPDCF-UHFFFAOYSA-N
MW238.33 g/mol
LogP3.08
Rot. Bonds7

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

2-(2,2-diethoxyethoxy)-1,3-dimethylbenzene (PubChem CID 13416780) has the molecular formula C14H22O3 and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-(2,2-diethoxyethoxy)-1,3-dimethylbenzene.

Molecular Properties

Compound Name2-(2,2-diethoxyethoxy)-1,3-dimethylbenzene
PubChem CID13416780
Molecular FormulaC14H22O3
Molecular Weight238.33 g/mol
Exact Mass238.16
IUPAC Name2-(2,2-diethoxyethoxy)-1,3-dimethylbenzene
SMILESCCOC(COc1c(C)cccc1C)OCC
InChIInChI=1S/C14H22O3/c1-5-15-13(16-6-2)10-17-14-11(3)8-7-9-12(14)4/h7-9,13H,5-6,10H2,1-4H3
InChIKeyZNANXJOSAHPDCF-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'}

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Related Compounds

2-(3,3-diethoxypropoxy)-1,3-dimethylbenzene
CID 63628446
1,3-dichloro-2-(2,2-diethoxyethoxy)benzene
CID 2781949
ethane;2-ethoxy-1,3-dimethylbenzene
CID 91163284
4-(2,2-diethoxyethoxy)-3,5-dimethylbenzamide
CID 65471375
2-[2-(bromomethyl)butoxy]-1,3-dimethylbenzene
CID 64995498
1-(2,2-diethoxyethoxy)-4-ethoxybenzene
CID 63629434
2-ethoxy-1,3-dimethylbenzene;trichloroalumane
CID 175224495
2-(2-isocyanopropoxy)-1,3-dimethylbenzene
CID 71319489
2-[1,3-bis(2,6-dimethylphenoxy)propan-2-yloxy]ethanol
CID 71201573
1,3-dimethyl-2-propoxybenzene
CID 579040
3-(2,2-diethoxyethoxy)aniline
CID 81089807
1-bromo-4-(2,2-diethoxyethoxy)-2-methylbenzene
CID 83141135

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-diethoxyethoxy)-1,3-dimethylbenzene?
The IUPAC name of 2-(2,2-diethoxyethoxy)-1,3-dimethylbenzene (CID 13416780) is 2-(2,2-diethoxyethoxy)-1,3-dimethylbenzene.
What is the SMILES notation for 2-(2,2-diethoxyethoxy)-1,3-dimethylbenzene?
The canonical SMILES for 2-(2,2-diethoxyethoxy)-1,3-dimethylbenzene is CCOC(COc1c(C)cccc1C)OCC.
What is the InChIKey of 2-(2,2-diethoxyethoxy)-1,3-dimethylbenzene?
The InChIKey is ZNANXJOSAHPDCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O3/c1-5-15-13(16-6-2)10-17-14-11(3)8-7-9-12(14)4/h7-9,13H,5-6,10H2,1-4H3.
What are the key properties of 2-(2,2-diethoxyethoxy)-1,3-dimethylbenzene?
2-(2,2-diethoxyethoxy)-1,3-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 2-(2,2-diethoxyethoxy)-1,3-dimethylbenzene is sourced from PubChem (CID 13416780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).