1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]butane;methyl benzoate

C19H32O6 — CID 146469280

IUPAC1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]butane;methyl benzoate
SMILESCCCCOCCOCCOCCOC.COC(=O)c1ccccc1
InChIInChI=1S/C11H24O4.C8H8O2/c1-3-4-5-13-8-9-15-11-10-14-7-6-12-2;1-10-8(9)7-5-3-2-4-6-7/h3-11H2,1-2H3;2-6H,1H3
InChIKeyQOALVYIOCOKSIJ-UHFFFAOYSA-N
MW356.46 g/mol
LogP2.96
Rot. Bonds13

About 1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]butane;methyl benzoate

1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]butane;methyl benzoate (PubChem CID 146469280) has the molecular formula C19H32O6 and a molecular weight of 356.46 g/mol. Its IUPAC name is 1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]butane;methyl benzoate.

Molecular Properties

Compound Name1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]butane;methyl benzoate
PubChem CID146469280
Molecular FormulaC19H32O6
Molecular Weight356.46 g/mol
Exact Mass356.22
IUPAC Name1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]butane;methyl benzoate
SMILESCCCCOCCOCCOCCOC.COC(=O)c1ccccc1
InChIInChI=1S/C11H24O4.C8H8O2/c1-3-4-5-13-8-9-15-11-10-14-7-6-12-2;1-10-8(9)7-5-3-2-4-6-7/h3-11H2,1-2H3;2-6H,1H3
InChIKeyQOALVYIOCOKSIJ-UHFFFAOYSA-N
XLogP2.96
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.46
LogP ≤ 52.96
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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Related Compounds

methyl benzoate;pentane
CID 142510193
2-nonoxyethyl benzoate
CID 140608587
methyl benzoate;undecan-6-one
CID 174958584
2-(2-butoxyethoxy)-1-phenylethanone
CID 43800199
(111C)butyl benzoate
CID 11994383
CID 157228504
CID 157228504
methyl benzoate;hydrate
CID 141218240
butyl benzoate;methane
CID 174523775
butyl benzoate;dihydrochloride
CID 141031125
benzoic acid;1-pentoxypentane
CID 70815519
2-[2-(butylamino)ethoxy]ethyl benzoate
CID 82532254
2-methoxyethoxymethyl benzoate
CID 11275823

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]butane;methyl benzoate?
The IUPAC name of 1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]butane;methyl benzoate (CID 146469280) is 1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]butane;methyl benzoate.
What is the SMILES notation for 1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]butane;methyl benzoate?
The canonical SMILES for 1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]butane;methyl benzoate is CCCCOCCOCCOCCOC.COC(=O)c1ccccc1.
What is the InChIKey of 1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]butane;methyl benzoate?
The InChIKey is QOALVYIOCOKSIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O4.C8H8O2/c1-3-4-5-13-8-9-15-11-10-14-7-6-12-2;1-10-8(9)7-5-3-2-4-6-7/h3-11H2,1-2H3;2-6H,1H3.
What are the key properties of 1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]butane;methyl benzoate?
1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]butane;methyl benzoate has a molecular weight of 356.46 g/mol, XLogP of 2.96, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]butane;methyl benzoate is sourced from PubChem (CID 146469280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).