2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 2,3-dimethoxybenzoate

C18H28O8 — CID 139804909

IUPAC2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 2,3-dimethoxybenzoate
SMILESCOCCOCCOCCOCCOC(=O)c1cccc(OC)c1OC
InChIInChI=1S/C18H28O8/c1-20-7-8-23-9-10-24-11-12-25-13-14-26-18(19)15-5-4-6-16(21-2)17(15)22-3/h4-6H,7-14H2,1-3H3
InChIKeyLNOLDNJTKVHWBK-UHFFFAOYSA-N
MW372.41 g/mol
LogP1.56
Rot. Bonds15

About 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 2,3-dimethoxybenzoate

2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 2,3-dimethoxybenzoate (PubChem CID 139804909) has the molecular formula C18H28O8 and a molecular weight of 372.41 g/mol. Its IUPAC name is 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 2,3-dimethoxybenzoate.

Molecular Properties

Compound Name2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 2,3-dimethoxybenzoate
PubChem CID139804909
Molecular FormulaC18H28O8
Molecular Weight372.41 g/mol
Exact Mass372.18
IUPAC Name2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 2,3-dimethoxybenzoate
SMILESCOCCOCCOCCOCCOC(=O)c1cccc(OC)c1OC
InChIInChI=1S/C18H28O8/c1-20-7-8-23-9-10-24-11-12-25-13-14-26-18(19)15-5-4-6-16(21-2)17(15)22-3/h4-6H,7-14H2,1-3H3
InChIKeyLNOLDNJTKVHWBK-UHFFFAOYSA-N
XLogP1.56
TPSA81.68 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds15
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.41
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-[2-[2-(2,3,4-trimethoxybenzoyl)oxyethoxy]ethoxy]ethoxy]ethyl 2,3,4-trimethoxybenzoate
CID 139804932
2-(3-methoxypropoxy)ethyl 2-amino-3-methoxybenzoate
CID 103179310
[3-(2,3-dimethoxybenzoyl)oxy-2-oxopropyl] 2,3-dimethoxybenzoate
CID 3910896
2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethyl 2-methoxybenzoate
CID 139804906
2-benzoyloxyethyl 2,3,4-trimethoxybenzoate
CID 30194766
1-O-[2-(2-hydroxyethoxy)ethyl] 2-O-[2-(2-methoxyethoxy)ethyl] benzene-1,2-dicarboxylate
CID 153260877
1-(2,3-dimethoxyphenyl)-4-methoxybutan-1-one
CID 105135502
[2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl] 2,3-dimethoxybenzoate
CID 2358791
ethyl 2-ethoxy-3-methoxybenzoate
CID 82186199
2,3-dimethoxybenzamide;hydrate
CID 141005510
2-methoxyethyl 3-amino-2-methylbenzoate
CID 19804739
2-(2-methoxyethoxy)ethyl 2-fluoro-3-(trifluoromethyl)benzoate
CID 115682836

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 2,3-dimethoxybenzoate?
The IUPAC name of 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 2,3-dimethoxybenzoate (CID 139804909) is 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 2,3-dimethoxybenzoate.
What is the SMILES notation for 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 2,3-dimethoxybenzoate?
The canonical SMILES for 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 2,3-dimethoxybenzoate is COCCOCCOCCOCCOC(=O)c1cccc(OC)c1OC.
What is the InChIKey of 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 2,3-dimethoxybenzoate?
The InChIKey is LNOLDNJTKVHWBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O8/c1-20-7-8-23-9-10-24-11-12-25-13-14-26-18(19)15-5-4-6-16(21-2)17(15)22-3/h4-6H,7-14H2,1-3H3.
What are the key properties of 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 2,3-dimethoxybenzoate?
2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 2,3-dimethoxybenzoate has a molecular weight of 372.41 g/mol, XLogP of 1.56, 15 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 2,3-dimethoxybenzoate is sourced from PubChem (CID 139804909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).