methyl 2-(methoxymethoxy)-4,6-dimethylbenzoate

C12H16O4 — CID 59467026

IUPACmethyl 2-(methoxymethoxy)-4,6-dimethylbenzoate
SMILESCOCOc1cc(C)cc(C)c1C(=O)OC
InChIInChI=1S/C12H16O4/c1-8-5-9(2)11(12(13)15-4)10(6-8)16-7-14-3/h5-6H,7H2,1-4H3
InChIKeyOKBXSBUBNVNFJE-UHFFFAOYSA-N
MW224.26 g/mol
LogP2.07
Rot. Bonds4

About methyl 2-(methoxymethoxy)-4,6-dimethylbenzoate

methyl 2-(methoxymethoxy)-4,6-dimethylbenzoate (PubChem CID 59467026) has the molecular formula C12H16O4 and a molecular weight of 224.26 g/mol. Its IUPAC name is methyl 2-(methoxymethoxy)-4,6-dimethylbenzoate.

Molecular Properties

Compound Namemethyl 2-(methoxymethoxy)-4,6-dimethylbenzoate
PubChem CID59467026
Molecular FormulaC12H16O4
Molecular Weight224.26 g/mol
Exact Mass224.10
IUPAC Namemethyl 2-(methoxymethoxy)-4,6-dimethylbenzoate
SMILESCOCOc1cc(C)cc(C)c1C(=O)OC
InChIInChI=1S/C12H16O4/c1-8-5-9(2)11(12(13)15-4)10(6-8)16-7-14-3/h5-6H,7H2,1-4H3
InChIKeyOKBXSBUBNVNFJE-UHFFFAOYSA-N
XLogP2.07
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 2,4-bis(methoxymethoxy)-6-methylbenzoate
CID 59467126
dimethyl 3,5-dimethylbenzene-1,2-dicarboxylate
CID 11499546
methyl 2-hydroxy-4,6-dimethylbenzoate;methyl 2,4,6-trimethylbenzoate
CID 161420499
methyl 4-bromo-2-ethoxy-6-methylbenzoate
CID 133063068
1-[4-hydroxy-2,6-bis(methoxymethoxy)phenyl]ethanone
CID 156853152
2-ethoxy-4,6-dimethylbenzoic acid
CID 22956565
methyl 5-chloro-2,4-bis(methoxymethoxy)benzoate
CID 57440512
methyl 2-chloro-6-(methoxymethoxy)benzoate
CID 139356689
2-methoxy-1-(2,4,6-trimethylphenyl)ethanone
CID 15502799
ethane;methyl 5-(2-bromoacetyl)-2-(methoxymethoxy)-4-methylbenzoate
CID 144541857
methyl 4-ethoxy-2,6-dimethylbenzoate
CID 82552476
2-methoxy-N-(2-methoxyethyl)-4,6-dimethylbenzamide
CID 110764934

Frequently Asked Questions

What is the IUPAC name of methyl 2-(methoxymethoxy)-4,6-dimethylbenzoate?
The IUPAC name of methyl 2-(methoxymethoxy)-4,6-dimethylbenzoate (CID 59467026) is methyl 2-(methoxymethoxy)-4,6-dimethylbenzoate.
What is the SMILES notation for methyl 2-(methoxymethoxy)-4,6-dimethylbenzoate?
The canonical SMILES for methyl 2-(methoxymethoxy)-4,6-dimethylbenzoate is COCOc1cc(C)cc(C)c1C(=O)OC.
What is the InChIKey of methyl 2-(methoxymethoxy)-4,6-dimethylbenzoate?
The InChIKey is OKBXSBUBNVNFJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O4/c1-8-5-9(2)11(12(13)15-4)10(6-8)16-7-14-3/h5-6H,7H2,1-4H3.
What are the key properties of methyl 2-(methoxymethoxy)-4,6-dimethylbenzoate?
methyl 2-(methoxymethoxy)-4,6-dimethylbenzoate has a molecular weight of 224.26 g/mol, XLogP of 2.07, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(methoxymethoxy)-4,6-dimethylbenzoate is sourced from PubChem (CID 59467026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).