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

C15H22O6 — CID 10236485

IUPAC2,2-bis(2-methoxyethoxy)ethyl benzoate
SMILESCOCCOC(COC(=O)c1ccccc1)OCCOC
InChIInChI=1S/C15H22O6/c1-17-8-10-19-14(20-11-9-18-2)12-21-15(16)13-6-4-3-5-7-13/h3-7,14H,8-12H2,1-2H3
InChIKeyKPAKQXJHLZGCRP-UHFFFAOYSA-N
MW298.33 g/mol
LogP1.50
Rot. Bonds11

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

2,2-bis(2-methoxyethoxy)ethyl benzoate (PubChem CID 10236485) has the molecular formula C15H22O6 and a molecular weight of 298.33 g/mol. Its IUPAC name is 2,2-bis(2-methoxyethoxy)ethyl benzoate.

Molecular Properties

Compound Name2,2-bis(2-methoxyethoxy)ethyl benzoate
PubChem CID10236485
Molecular FormulaC15H22O6
Molecular Weight298.33 g/mol
Exact Mass298.14
IUPAC Name2,2-bis(2-methoxyethoxy)ethyl benzoate
SMILESCOCCOC(COC(=O)c1ccccc1)OCCOC
InChIInChI=1S/C15H22O6/c1-17-8-10-19-14(20-11-9-18-2)12-21-15(16)13-6-4-3-5-7-13/h3-7,14H,8-12H2,1-2H3
InChIKeyKPAKQXJHLZGCRP-UHFFFAOYSA-N
XLogP1.50
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.33
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

azane;2-methoxyethyl benzoate
CID 174560204
[(2S)-2-benzoyloxy-3-methoxypropyl] benzoate
CID 14483657
(2-ethoxy-2-phenylmethoxyethyl) benzoate
CID 67036825
2-methoxyethoxymethyl benzoate
CID 11275823
(4-benzoyloxy-2,3-dihydroxybutyl) benzoate
CID 569984
[(2R)-2-benzamido-3-methoxy-3-oxopropyl] benzoate
CID 86334795
[4-(benzoyloxymethyl)-2,3-diethylhexyl] benzoate
CID 141064314
(3-benzoyloxy-2-methylpropyl) benzoate;ethane-1,2-diol
CID 70529802
[(2S)-2-benzoyloxypropyl] benzoate
CID 73416127
[(2R)-2-phenylpropyl] benzoate
CID 101021839
2-methoxyethyl 4-benzoyloxybenzoate
CID 17162027
[(2R,3R,4R,5R)-6-benzoyloxy-2,3,4,5-tetrahydroxyhexyl] benzoate
CID 14018806

Frequently Asked Questions

What is the IUPAC name of 2,2-bis(2-methoxyethoxy)ethyl benzoate?
The IUPAC name of 2,2-bis(2-methoxyethoxy)ethyl benzoate (CID 10236485) is 2,2-bis(2-methoxyethoxy)ethyl benzoate.
What is the SMILES notation for 2,2-bis(2-methoxyethoxy)ethyl benzoate?
The canonical SMILES for 2,2-bis(2-methoxyethoxy)ethyl benzoate is COCCOC(COC(=O)c1ccccc1)OCCOC.
What is the InChIKey of 2,2-bis(2-methoxyethoxy)ethyl benzoate?
The InChIKey is KPAKQXJHLZGCRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O6/c1-17-8-10-19-14(20-11-9-18-2)12-21-15(16)13-6-4-3-5-7-13/h3-7,14H,8-12H2,1-2H3.
What are the key properties of 2,2-bis(2-methoxyethoxy)ethyl benzoate?
2,2-bis(2-methoxyethoxy)ethyl benzoate has a molecular weight of 298.33 g/mol, XLogP of 1.50, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(2-methoxyethoxy)ethyl benzoate is sourced from PubChem (CID 10236485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).