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

C12H18O2 — CID 11041648

IUPAC2-(dimethoxymethyl)-1,3,5-trimethylbenzene
SMILESCOC(OC)c1c(C)cc(C)cc1C
InChIInChI=1S/C12H18O2/c1-8-6-9(2)11(10(3)7-8)12(13-4)14-5/h6-7,12H,1-5H3
InChIKeyRWFGNWVNQFFQIX-UHFFFAOYSA-N
MW194.27 g/mol
LogP2.90
Rot. Bonds3

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

2-(dimethoxymethyl)-1,3,5-trimethylbenzene (PubChem CID 11041648) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is 2-(dimethoxymethyl)-1,3,5-trimethylbenzene.

Molecular Properties

Compound Name2-(dimethoxymethyl)-1,3,5-trimethylbenzene
PubChem CID11041648
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name2-(dimethoxymethyl)-1,3,5-trimethylbenzene
SMILESCOC(OC)c1c(C)cc(C)cc1C
InChIInChI=1S/C12H18O2/c1-8-6-9(2)11(10(3)7-8)12(13-4)14-5/h6-7,12H,1-5H3
InChIKeyRWFGNWVNQFFQIX-UHFFFAOYSA-N
XLogP2.90
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 52.90
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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Frequently Asked Questions

What is the IUPAC name of 2-(dimethoxymethyl)-1,3,5-trimethylbenzene?
The IUPAC name of 2-(dimethoxymethyl)-1,3,5-trimethylbenzene (CID 11041648) is 2-(dimethoxymethyl)-1,3,5-trimethylbenzene.
What is the SMILES notation for 2-(dimethoxymethyl)-1,3,5-trimethylbenzene?
The canonical SMILES for 2-(dimethoxymethyl)-1,3,5-trimethylbenzene is COC(OC)c1c(C)cc(C)cc1C.
What is the InChIKey of 2-(dimethoxymethyl)-1,3,5-trimethylbenzene?
The InChIKey is RWFGNWVNQFFQIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2/c1-8-6-9(2)11(10(3)7-8)12(13-4)14-5/h6-7,12H,1-5H3.
What are the key properties of 2-(dimethoxymethyl)-1,3,5-trimethylbenzene?
2-(dimethoxymethyl)-1,3,5-trimethylbenzene has a molecular weight of 194.27 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethoxymethyl)-1,3,5-trimethylbenzene is sourced from PubChem (CID 11041648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).