2-(2,2-diethoxyethyl)-1,3,5-trimethylbenzene

C15H24O2 — CID 146004844

IUPAC2-(2,2-diethoxyethyl)-1,3,5-trimethylbenzene
SMILESCCOC(Cc1c(C)cc(C)cc1C)OCC
InChIInChI=1S/C15H24O2/c1-6-16-15(17-7-2)10-14-12(4)8-11(3)9-13(14)5/h8-9,15H,6-7,10H2,1-5H3
InChIKeyZRNAKHIVHATHHS-UHFFFAOYSA-N
MW236.35 g/mol
LogP3.55
Rot. Bonds6

About 2-(2,2-diethoxyethyl)-1,3,5-trimethylbenzene

2-(2,2-diethoxyethyl)-1,3,5-trimethylbenzene (PubChem CID 146004844) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is 2-(2,2-diethoxyethyl)-1,3,5-trimethylbenzene.

Molecular Properties

Compound Name2-(2,2-diethoxyethyl)-1,3,5-trimethylbenzene
PubChem CID146004844
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name2-(2,2-diethoxyethyl)-1,3,5-trimethylbenzene
SMILESCCOC(Cc1c(C)cc(C)cc1C)OCC
InChIInChI=1S/C15H24O2/c1-6-16-15(17-7-2)10-14-12(4)8-11(3)9-13(14)5/h8-9,15H,6-7,10H2,1-5H3
InChIKeyZRNAKHIVHATHHS-UHFFFAOYSA-N
XLogP3.55
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[3-ethoxy-1-(2,4,6-trimethylphenyl)butan-2-yl]hydrazine
CID 105222980
1,1-diethoxyethane;1,3,5-trimethylbenzene
CID 66684886
1-(2,2-diethoxyethoxy)-3,5-dimethylbenzene
CID 12661792
3-methoxy-1-(2,4,6-trimethylphenyl)pentan-2-ol
CID 116710908
3-methyl-1-(2,4,6-trimethylphenyl)pentan-2-amine
CID 63716659
3-methoxy-1-(2,4,6-trimethylphenyl)butan-2-ol
CID 79616533
2-butyl-1,3,5-trimethylbenzene
CID 527298
1-(1-ethoxycyclohexyl)-2-(2,4,6-trimethylphenyl)ethanol
CID 116753691
1-(2,2-diethoxyethyl)-2,4,6-trimethylpyridin-1-ium
CID 3845380
3-methyl-4-(2,4,6-trimethylphenyl)butan-2-ol
CID 11229524
3-(3,5-dimethylphenyl)-2-ethoxypropanoic acid
CID 133237900
[1,1-dimethoxy-3-(2,4,6-trimethylphenyl)propan-2-yl]hydrazine
CID 105246156

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-diethoxyethyl)-1,3,5-trimethylbenzene?
The IUPAC name of 2-(2,2-diethoxyethyl)-1,3,5-trimethylbenzene (CID 146004844) is 2-(2,2-diethoxyethyl)-1,3,5-trimethylbenzene.
What is the SMILES notation for 2-(2,2-diethoxyethyl)-1,3,5-trimethylbenzene?
The canonical SMILES for 2-(2,2-diethoxyethyl)-1,3,5-trimethylbenzene is CCOC(Cc1c(C)cc(C)cc1C)OCC.
What is the InChIKey of 2-(2,2-diethoxyethyl)-1,3,5-trimethylbenzene?
The InChIKey is ZRNAKHIVHATHHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2/c1-6-16-15(17-7-2)10-14-12(4)8-11(3)9-13(14)5/h8-9,15H,6-7,10H2,1-5H3.
What are the key properties of 2-(2,2-diethoxyethyl)-1,3,5-trimethylbenzene?
2-(2,2-diethoxyethyl)-1,3,5-trimethylbenzene has a molecular weight of 236.35 g/mol, XLogP of 3.55, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-diethoxyethyl)-1,3,5-trimethylbenzene is sourced from PubChem (CID 146004844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).