methyl 2,4-bis(methoxymethoxy)-6-methylbenzoate

C13H18O6 — CID 59467126

IUPACmethyl 2,4-bis(methoxymethoxy)-6-methylbenzoate
SMILESCOCOc1cc(C)c(C(=O)OC)c(OCOC)c1
InChIInChI=1S/C13H18O6/c1-9-5-10(18-7-15-2)6-11(19-8-16-3)12(9)13(14)17-4/h5-6H,7-8H2,1-4H3
InChIKeySWOKJCMUYLMRDH-UHFFFAOYSA-N
MW270.28 g/mol
LogP1.75
Rot. Bonds7

About methyl 2,4-bis(methoxymethoxy)-6-methylbenzoate

methyl 2,4-bis(methoxymethoxy)-6-methylbenzoate (PubChem CID 59467126) has the molecular formula C13H18O6 and a molecular weight of 270.28 g/mol. Its IUPAC name is methyl 2,4-bis(methoxymethoxy)-6-methylbenzoate.

Molecular Properties

Compound Namemethyl 2,4-bis(methoxymethoxy)-6-methylbenzoate
PubChem CID59467126
Molecular FormulaC13H18O6
Molecular Weight270.28 g/mol
Exact Mass270.11
IUPAC Namemethyl 2,4-bis(methoxymethoxy)-6-methylbenzoate
SMILESCOCOc1cc(C)c(C(=O)OC)c(OCOC)c1
InChIInChI=1S/C13H18O6/c1-9-5-10(18-7-15-2)6-11(19-8-16-3)12(9)13(14)17-4/h5-6H,7-8H2,1-4H3
InChIKeySWOKJCMUYLMRDH-UHFFFAOYSA-N
XLogP1.75
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 51.75
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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Related Compounds

methyl 2-(methoxymethoxy)-4,6-dimethylbenzoate
CID 59467026
1-[2,4,6-tris(methoxymethoxy)phenyl]ethanone
CID 10935461
methyl 4-ethoxy-2,6-dimethylbenzoate
CID 82552476
1-[2-hydroxy-6-methoxy-4-(methoxymethoxy)phenyl]ethanone
CID 11195478
methyl 4-bromo-2-ethoxy-6-methylbenzoate
CID 133063068
1-[4-hydroxy-2,6-bis(methoxymethoxy)phenyl]ethanone
CID 156853152
2-iodo-5-(methoxymethoxy)-1,3-dimethylbenzene
CID 150296892
methyl 2-methoxy-4-(methoxymethoxy)-6-pent-4-enylbenzoate
CID 135024938
dimethyl 4-acetyloxy-3,6-dimethylbenzene-1,2-dicarboxylate
CID 151006426
methyl 2-iodo-4-methoxy-6-methylbenzoate
CID 131351829
methyl 3-ethyl-5-(methoxymethoxy)benzoate
CID 59017125
methyl 4-formyl-3-[4-(methoxymethoxy)-2,6-dimethylphenyl]benzoate
CID 59342554

Frequently Asked Questions

What is the IUPAC name of methyl 2,4-bis(methoxymethoxy)-6-methylbenzoate?
The IUPAC name of methyl 2,4-bis(methoxymethoxy)-6-methylbenzoate (CID 59467126) is methyl 2,4-bis(methoxymethoxy)-6-methylbenzoate.
What is the SMILES notation for methyl 2,4-bis(methoxymethoxy)-6-methylbenzoate?
The canonical SMILES for methyl 2,4-bis(methoxymethoxy)-6-methylbenzoate is COCOc1cc(C)c(C(=O)OC)c(OCOC)c1.
What is the InChIKey of methyl 2,4-bis(methoxymethoxy)-6-methylbenzoate?
The InChIKey is SWOKJCMUYLMRDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O6/c1-9-5-10(18-7-15-2)6-11(19-8-16-3)12(9)13(14)17-4/h5-6H,7-8H2,1-4H3.
What are the key properties of methyl 2,4-bis(methoxymethoxy)-6-methylbenzoate?
methyl 2,4-bis(methoxymethoxy)-6-methylbenzoate has a molecular weight of 270.28 g/mol, XLogP of 1.75, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,4-bis(methoxymethoxy)-6-methylbenzoate is sourced from PubChem (CID 59467126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).