methyl 4-(dimethoxymethyl)-2,6-dimethoxybenzoate

C13H18O6 — CID 11086825

IUPACmethyl 4-(dimethoxymethyl)-2,6-dimethoxybenzoate
SMILESCOC(=O)c1c(OC)cc(C(OC)OC)cc1OC
InChIInChI=1S/C13H18O6/c1-15-9-6-8(13(18-4)19-5)7-10(16-2)11(9)12(14)17-3/h6-7,13H,1-5H3
InChIKeyHHEUPIANUDTALD-UHFFFAOYSA-N
MW270.28 g/mol
LogP1.78
Rot. Bonds6

About methyl 4-(dimethoxymethyl)-2,6-dimethoxybenzoate

methyl 4-(dimethoxymethyl)-2,6-dimethoxybenzoate (PubChem CID 11086825) has the molecular formula C13H18O6 and a molecular weight of 270.28 g/mol. Its IUPAC name is methyl 4-(dimethoxymethyl)-2,6-dimethoxybenzoate.

Molecular Properties

Compound Namemethyl 4-(dimethoxymethyl)-2,6-dimethoxybenzoate
PubChem CID11086825
Molecular FormulaC13H18O6
Molecular Weight270.28 g/mol
Exact Mass270.11
IUPAC Namemethyl 4-(dimethoxymethyl)-2,6-dimethoxybenzoate
SMILESCOC(=O)c1c(OC)cc(C(OC)OC)cc1OC
InChIInChI=1S/C13H18O6/c1-15-9-6-8(13(18-4)19-5)7-10(16-2)11(9)12(14)17-3/h6-7,13H,1-5H3
InChIKeyHHEUPIANUDTALD-UHFFFAOYSA-N
XLogP1.78
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 methyl 4-(dimethoxymethyl)-2,6-dimethoxybenzoate?
The IUPAC name of methyl 4-(dimethoxymethyl)-2,6-dimethoxybenzoate (CID 11086825) is methyl 4-(dimethoxymethyl)-2,6-dimethoxybenzoate.
What is the SMILES notation for methyl 4-(dimethoxymethyl)-2,6-dimethoxybenzoate?
The canonical SMILES for methyl 4-(dimethoxymethyl)-2,6-dimethoxybenzoate is COC(=O)c1c(OC)cc(C(OC)OC)cc1OC.
What is the InChIKey of methyl 4-(dimethoxymethyl)-2,6-dimethoxybenzoate?
The InChIKey is HHEUPIANUDTALD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O6/c1-15-9-6-8(13(18-4)19-5)7-10(16-2)11(9)12(14)17-3/h6-7,13H,1-5H3.
What are the key properties of methyl 4-(dimethoxymethyl)-2,6-dimethoxybenzoate?
methyl 4-(dimethoxymethyl)-2,6-dimethoxybenzoate has a molecular weight of 270.28 g/mol, XLogP of 1.78, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(dimethoxymethyl)-2,6-dimethoxybenzoate is sourced from PubChem (CID 11086825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).