3-(2-methoxyethoxymethoxy)butyl acetate

C10H20O5 — CID 10059314

IUPAC3-(2-methoxyethoxymethoxy)butyl acetate
SMILESCOCCOCOC(C)CCOC(C)=O
InChIInChI=1S/C10H20O5/c1-9(4-5-14-10(2)11)15-8-13-7-6-12-3/h9H,4-8H2,1-3H3
InChIKeyPCVSNHIFFBKCJH-UHFFFAOYSA-N
MW220.26 g/mol
LogP0.97
Rot. Bonds9

About 3-(2-methoxyethoxymethoxy)butyl acetate

3-(2-methoxyethoxymethoxy)butyl acetate (PubChem CID 10059314) has the molecular formula C10H20O5 and a molecular weight of 220.26 g/mol. Its IUPAC name is 3-(2-methoxyethoxymethoxy)butyl acetate.

Molecular Properties

Compound Name3-(2-methoxyethoxymethoxy)butyl acetate
PubChem CID10059314
Molecular FormulaC10H20O5
Molecular Weight220.26 g/mol
Exact Mass220.13
IUPAC Name3-(2-methoxyethoxymethoxy)butyl acetate
SMILESCOCCOCOC(C)CCOC(C)=O
InChIInChI=1S/C10H20O5/c1-9(4-5-14-10(2)11)15-8-13-7-6-12-3/h9H,4-8H2,1-3H3
InChIKeyPCVSNHIFFBKCJH-UHFFFAOYSA-N
XLogP0.97
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.26
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethoxymethoxy)butyl acetate?
The IUPAC name of 3-(2-methoxyethoxymethoxy)butyl acetate (CID 10059314) is 3-(2-methoxyethoxymethoxy)butyl acetate.
What is the SMILES notation for 3-(2-methoxyethoxymethoxy)butyl acetate?
The canonical SMILES for 3-(2-methoxyethoxymethoxy)butyl acetate is COCCOCOC(C)CCOC(C)=O.
What is the InChIKey of 3-(2-methoxyethoxymethoxy)butyl acetate?
The InChIKey is PCVSNHIFFBKCJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O5/c1-9(4-5-14-10(2)11)15-8-13-7-6-12-3/h9H,4-8H2,1-3H3.
What are the key properties of 3-(2-methoxyethoxymethoxy)butyl acetate?
3-(2-methoxyethoxymethoxy)butyl acetate has a molecular weight of 220.26 g/mol, XLogP of 0.97, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethoxymethoxy)butyl acetate is sourced from PubChem (CID 10059314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).