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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Related Compounds

Benzaldehyde dimethyl acetal
CID 62375
(Diethoxymethyl)benzene
CID 69884
Benzenemethanol, 2,4-dimethyl-, 1-acetate
CID 94602
Benzene, 1-(dimethoxymethyl)-4-methyl-
CID 76932
Benzene, 1-(dimethoxymethyl)-4-(1-methylethyl)-
CID 105591
1-(Dimethoxymethyl)-4-(1,1-dimethylethyl)benzene
CID 11085047
Naphthalene, 7-(diethoxymethyl)-1,2,3,4-tetrahydro-1,1,2,4,4-pentamethyl-
CID 19912838
3,4-Dimethylstyrene oxide
CID 159631
p-(Diethoxymethyl)toluene
CID 75469
(Dibutoxymethyl)benzene
CID 219171
(2-(Dimethoxymethyl)phenyl)methanol
CID 343232
3-Methylbenzaldehyde dimethyl acetal
CID 13951905

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).