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

C14H20O4 — CID 168944516

IUPACmethyl 4-(ethoxymethoxymethyl)-2,6-dimethylbenzoate
SMILESCCOCOCc1cc(C)c(C(=O)OC)c(C)c1
InChIInChI=1S/C14H20O4/c1-5-17-9-18-8-12-6-10(2)13(11(3)7-12)14(15)16-4/h6-7H,5,8-9H2,1-4H3
InChIKeyLFXYRVGGIMFIJI-UHFFFAOYSA-N
MW252.31 g/mol
LogP2.60
Rot. Bonds6

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

methyl 4-(ethoxymethoxymethyl)-2,6-dimethylbenzoate (PubChem CID 168944516) has the molecular formula C14H20O4 and a molecular weight of 252.31 g/mol. Its IUPAC name is methyl 4-(ethoxymethoxymethyl)-2,6-dimethylbenzoate.

Molecular Properties

Compound Namemethyl 4-(ethoxymethoxymethyl)-2,6-dimethylbenzoate
PubChem CID168944516
Molecular FormulaC14H20O4
Molecular Weight252.31 g/mol
Exact Mass252.14
IUPAC Namemethyl 4-(ethoxymethoxymethyl)-2,6-dimethylbenzoate
SMILESCCOCOCc1cc(C)c(C(=O)OC)c(C)c1
InChIInChI=1S/C14H20O4/c1-5-17-9-18-8-12-6-10(2)13(11(3)7-12)14(15)16-4/h6-7H,5,8-9H2,1-4H3
InChIKeyLFXYRVGGIMFIJI-UHFFFAOYSA-N
XLogP2.60
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-ethoxy-2,6-dimethylbenzoate
CID 82552476
methyl 3-tert-butyl-5-(ethoxymethyl)benzoate
CID 58136853
methyl 4-bromo-2-ethoxy-6-methylbenzoate
CID 133063068
methyl 2-hydroxy-4,6-dimethylbenzoate;methyl 2,4,6-trimethylbenzoate
CID 161420499
methyl 4-bromo-2-ethyl-6-methylbenzoate
CID 130064455
methyl 2,6-dimethyl-4-phenylbenzoate
CID 10376998
methyl (E)-2-(2,4-diethyl-6-methylphenyl)-3-hydroxybut-2-enoate
CID 90047967
4-(ethoxymethoxymethyl)-2-methoxyphenol
CID 46944567
methyl 2-(methoxymethoxy)-4,6-dimethylbenzoate
CID 59467026
methyl 2-(chloromethyl)-4-methoxy-6-methylbenzoate
CID 171022992
dimethyl 4-acetyloxy-3,6-dimethylbenzene-1,2-dicarboxylate
CID 151006426
dimethyl 3,5-dimethylbenzene-1,2-dicarboxylate
CID 11499546

Frequently Asked Questions

What is the IUPAC name of methyl 4-(ethoxymethoxymethyl)-2,6-dimethylbenzoate?
The IUPAC name of methyl 4-(ethoxymethoxymethyl)-2,6-dimethylbenzoate (CID 168944516) is methyl 4-(ethoxymethoxymethyl)-2,6-dimethylbenzoate.
What is the SMILES notation for methyl 4-(ethoxymethoxymethyl)-2,6-dimethylbenzoate?
The canonical SMILES for methyl 4-(ethoxymethoxymethyl)-2,6-dimethylbenzoate is CCOCOCc1cc(C)c(C(=O)OC)c(C)c1.
What is the InChIKey of methyl 4-(ethoxymethoxymethyl)-2,6-dimethylbenzoate?
The InChIKey is LFXYRVGGIMFIJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O4/c1-5-17-9-18-8-12-6-10(2)13(11(3)7-12)14(15)16-4/h6-7H,5,8-9H2,1-4H3.
What are the key properties of methyl 4-(ethoxymethoxymethyl)-2,6-dimethylbenzoate?
methyl 4-(ethoxymethoxymethyl)-2,6-dimethylbenzoate has a molecular weight of 252.31 g/mol, XLogP of 2.60, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(ethoxymethoxymethyl)-2,6-dimethylbenzoate is sourced from PubChem (CID 168944516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).