ethyl 3,4-bis(2-methoxyethoxy)benzoate

C15H22O6 — CID 2808992

IUPACethyl 3,4-bis(2-methoxyethoxy)benzoate
SMILESCCOC(=O)c1ccc(OCCOC)c(OCCOC)c1
InChIInChI=1S/C15H22O6/c1-4-19-15(16)12-5-6-13(20-9-7-17-2)14(11-12)21-10-8-18-3/h5-6,11H,4,7-10H2,1-3H3
InChIKeyVGFZRAVMWXHEJB-UHFFFAOYSA-N
MW298.33 g/mol
LogP1.91
Rot. Bonds10

About ethyl 3,4-bis(2-methoxyethoxy)benzoate

ethyl 3,4-bis(2-methoxyethoxy)benzoate (PubChem CID 2808992) has the molecular formula C15H22O6 and a molecular weight of 298.33 g/mol. Its IUPAC name is ethyl 3,4-bis(2-methoxyethoxy)benzoate.

Molecular Properties

Compound Nameethyl 3,4-bis(2-methoxyethoxy)benzoate
PubChem CID2808992
Molecular FormulaC15H22O6
Molecular Weight298.33 g/mol
Exact Mass298.14
IUPAC Nameethyl 3,4-bis(2-methoxyethoxy)benzoate
SMILESCCOC(=O)c1ccc(OCCOC)c(OCCOC)c1
InChIInChI=1S/C15H22O6/c1-4-19-15(16)12-5-6-13(20-9-7-17-2)14(11-12)21-10-8-18-3/h5-6,11H,4,7-10H2,1-3H3
InChIKeyVGFZRAVMWXHEJB-UHFFFAOYSA-N
XLogP1.91
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.33
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 3,4-bis(2-methoxyethoxy)benzoate?
The IUPAC name of ethyl 3,4-bis(2-methoxyethoxy)benzoate (CID 2808992) is ethyl 3,4-bis(2-methoxyethoxy)benzoate.
What is the SMILES notation for ethyl 3,4-bis(2-methoxyethoxy)benzoate?
The canonical SMILES for ethyl 3,4-bis(2-methoxyethoxy)benzoate is CCOC(=O)c1ccc(OCCOC)c(OCCOC)c1.
What is the InChIKey of ethyl 3,4-bis(2-methoxyethoxy)benzoate?
The InChIKey is VGFZRAVMWXHEJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O6/c1-4-19-15(16)12-5-6-13(20-9-7-17-2)14(11-12)21-10-8-18-3/h5-6,11H,4,7-10H2,1-3H3.
What are the key properties of ethyl 3,4-bis(2-methoxyethoxy)benzoate?
ethyl 3,4-bis(2-methoxyethoxy)benzoate has a molecular weight of 298.33 g/mol, XLogP of 1.91, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3,4-bis(2-methoxyethoxy)benzoate is sourced from PubChem (CID 2808992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).