methyl 3-ethyl-5-(methoxymethoxy)benzoate

C12H16O4 — CID 59017125

IUPACmethyl 3-ethyl-5-(methoxymethoxy)benzoate
SMILESCCc1cc(OCOC)cc(C(=O)OC)c1
InChIInChI=1S/C12H16O4/c1-4-9-5-10(12(13)15-3)7-11(6-9)16-8-14-2/h5-7H,4,8H2,1-3H3
InChIKeyDQZXUUNQISRYNW-UHFFFAOYSA-N
MW224.26 g/mol
LogP2.02
Rot. Bonds5

About methyl 3-ethyl-5-(methoxymethoxy)benzoate

methyl 3-ethyl-5-(methoxymethoxy)benzoate (PubChem CID 59017125) has the molecular formula C12H16O4 and a molecular weight of 224.26 g/mol. Its IUPAC name is methyl 3-ethyl-5-(methoxymethoxy)benzoate.

Molecular Properties

Compound Namemethyl 3-ethyl-5-(methoxymethoxy)benzoate
PubChem CID59017125
Molecular FormulaC12H16O4
Molecular Weight224.26 g/mol
Exact Mass224.10
IUPAC Namemethyl 3-ethyl-5-(methoxymethoxy)benzoate
SMILESCCc1cc(OCOC)cc(C(=O)OC)c1
InChIInChI=1S/C12H16O4/c1-4-9-5-10(12(13)15-3)7-11(6-9)16-8-14-2/h5-7H,4,8H2,1-3H3
InChIKeyDQZXUUNQISRYNW-UHFFFAOYSA-N
XLogP2.02
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 52.02
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

dimethyl 5-[[3-[[3,5-bis[[3,5-bis[[3,5-bis(methoxycarbonyl)phenoxy]methyl]phenoxy]methyl]phenyl]methoxy]-5-[[3,5-bis(methoxycarbonyl)phenoxy]methyl]phenyl]methoxy]benzene-1,3-dicarboxylate
CID 23245644
dimethyl 5-[2-[2-[2-[3,5-bis(methoxycarbonyl)phenoxy]ethoxy]ethoxy]ethoxy]benzene-1,3-dicarboxylate
CID 57387038
methyl 3-pentadecoxy-5-undecoxybenzoate
CID 166142932
methyl 3,5-di(nonoxy)benzoate
CID 69305989
methyl 3-amino-5-ethoxybenzoate
CID 45089063
methyl 3-ethenyl-5-ethylbenzoate
CID 118269406
methyl 3-ethyl-5-ethylsulfanylbenzoate
CID 91876272
methyl 3-(hydroxymethyl)-5-phenylmethoxybenzoate
CID 24813623
1-[3-methoxy-5-(methoxymethoxy)phenyl]ethanone
CID 23439770
methyl 3,5-bis(2-chloroethoxy)benzoate
CID 100923076
methyl 3,5-bis(2-fluoroethoxy)benzoate
CID 86609559
dimethyl 5-(cyanomethoxy)benzene-1,3-dicarboxylate
CID 8536461

Frequently Asked Questions

What is the IUPAC name of methyl 3-ethyl-5-(methoxymethoxy)benzoate?
The IUPAC name of methyl 3-ethyl-5-(methoxymethoxy)benzoate (CID 59017125) is methyl 3-ethyl-5-(methoxymethoxy)benzoate.
What is the SMILES notation for methyl 3-ethyl-5-(methoxymethoxy)benzoate?
The canonical SMILES for methyl 3-ethyl-5-(methoxymethoxy)benzoate is CCc1cc(OCOC)cc(C(=O)OC)c1.
What is the InChIKey of methyl 3-ethyl-5-(methoxymethoxy)benzoate?
The InChIKey is DQZXUUNQISRYNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O4/c1-4-9-5-10(12(13)15-3)7-11(6-9)16-8-14-2/h5-7H,4,8H2,1-3H3.
What are the key properties of methyl 3-ethyl-5-(methoxymethoxy)benzoate?
methyl 3-ethyl-5-(methoxymethoxy)benzoate has a molecular weight of 224.26 g/mol, XLogP of 2.02, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-ethyl-5-(methoxymethoxy)benzoate is sourced from PubChem (CID 59017125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).