methyl 2-[2-[2-[2-(2-methoxy-2-oxoethoxy)ethoxy]ethoxy]ethoxy]acetate

C12H22O8 — CID 71676237

IUPACmethyl 2-[2-[2-[2-(2-methoxy-2-oxoethoxy)ethoxy]ethoxy]ethoxy]acetate
SMILESCOC(=O)COCCOCCOCCOCC(=O)OC
InChIInChI=1S/C12H22O8/c1-15-11(13)9-19-7-5-17-3-4-18-6-8-20-10-12(14)16-2/h3-10H2,1-2H3
InChIKeyKWIHUWDDWWKXQU-UHFFFAOYSA-N
MW294.30 g/mol
LogP-0.60
Rot. Bonds13

About methyl 2-[2-[2-[2-(2-methoxy-2-oxoethoxy)ethoxy]ethoxy]ethoxy]acetate

methyl 2-[2-[2-[2-(2-methoxy-2-oxoethoxy)ethoxy]ethoxy]ethoxy]acetate (PubChem CID 71676237) has the molecular formula C12H22O8 and a molecular weight of 294.30 g/mol. Its IUPAC name is methyl 2-[2-[2-[2-(2-methoxy-2-oxoethoxy)ethoxy]ethoxy]ethoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[2-[2-[2-(2-methoxy-2-oxoethoxy)ethoxy]ethoxy]ethoxy]acetate
PubChem CID71676237
Molecular FormulaC12H22O8
Molecular Weight294.30 g/mol
Exact Mass294.13
IUPAC Namemethyl 2-[2-[2-[2-(2-methoxy-2-oxoethoxy)ethoxy]ethoxy]ethoxy]acetate
SMILESCOC(=O)COCCOCCOCCOCC(=O)OC
InChIInChI=1S/C12H22O8/c1-15-11(13)9-19-7-5-17-3-4-18-6-8-20-10-12(14)16-2/h3-10H2,1-2H3
InChIKeyKWIHUWDDWWKXQU-UHFFFAOYSA-N
XLogP-0.60
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.30
LogP ≤ 5-0.60
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

methyl 2-[2-[2-(2-methoxy-2-oxoethoxy)ethoxy]ethoxy]acetate
CID 4170388
methyl 2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate
CID 91694163
methyl 2-(2-butoxyethoxy)acetate
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methyl 2-(2-chloroethoxy)acetate
CID 15337474
methyl 2-(2-methoxyethoxymethoxy)acetate
CID 86258559
methyl 2-[2-(2-azidoethoxy)ethoxy]acetate
CID 16723228
2-[2-(2-hydroxyethoxy)ethoxy]ethanol;methyl 2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]acetate;methyl 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]acetate;methyl 2-[2-(2-propoxyethoxy)ethoxy]acetate;2-(2-propoxyethoxy)ethanol
CID 164983216
methyl 2-[2-(11-acetylsulfanylundecoxy)ethoxy]acetate
CID 59422683
methyl 2-(5-hydroxypentoxy)acetate
CID 71343712
methyl 2-(methoxymethoxy)acetate
CID 11018922
1,2-dimethoxyethane;methyl 2-methoxyacetate
CID 159708370
methyl 2-(propoxymethoxy)acetate
CID 162143030

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[2-[2-(2-methoxy-2-oxoethoxy)ethoxy]ethoxy]ethoxy]acetate?
The IUPAC name of methyl 2-[2-[2-[2-(2-methoxy-2-oxoethoxy)ethoxy]ethoxy]ethoxy]acetate (CID 71676237) is methyl 2-[2-[2-[2-(2-methoxy-2-oxoethoxy)ethoxy]ethoxy]ethoxy]acetate.
What is the SMILES notation for methyl 2-[2-[2-[2-(2-methoxy-2-oxoethoxy)ethoxy]ethoxy]ethoxy]acetate?
The canonical SMILES for methyl 2-[2-[2-[2-(2-methoxy-2-oxoethoxy)ethoxy]ethoxy]ethoxy]acetate is COC(=O)COCCOCCOCCOCC(=O)OC.
What is the InChIKey of methyl 2-[2-[2-[2-(2-methoxy-2-oxoethoxy)ethoxy]ethoxy]ethoxy]acetate?
The InChIKey is KWIHUWDDWWKXQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O8/c1-15-11(13)9-19-7-5-17-3-4-18-6-8-20-10-12(14)16-2/h3-10H2,1-2H3.
What are the key properties of methyl 2-[2-[2-[2-(2-methoxy-2-oxoethoxy)ethoxy]ethoxy]ethoxy]acetate?
methyl 2-[2-[2-[2-(2-methoxy-2-oxoethoxy)ethoxy]ethoxy]ethoxy]acetate has a molecular weight of 294.30 g/mol, XLogP of -0.60, 13 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[2-[2-(2-methoxy-2-oxoethoxy)ethoxy]ethoxy]ethoxy]acetate is sourced from PubChem (CID 71676237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).