methyl 2-[2-[2-[2-(2-oxopropoxy)ethoxy]ethoxy]ethoxy]acetate

C12H22O7 — CID 20654316

IUPACmethyl 2-[2-[2-[2-(2-oxopropoxy)ethoxy]ethoxy]ethoxy]acetate
SMILESCOC(=O)COCCOCCOCCOCC(C)=O
InChIInChI=1S/C12H22O7/c1-11(13)9-18-7-5-16-3-4-17-6-8-19-10-12(14)15-2/h3-10H2,1-2H3
InChIKeyAFQOPDSGYMMCGO-UHFFFAOYSA-N
MW278.30 g/mol
LogP-0.19
Rot. Bonds13

About methyl 2-[2-[2-[2-(2-oxopropoxy)ethoxy]ethoxy]ethoxy]acetate

methyl 2-[2-[2-[2-(2-oxopropoxy)ethoxy]ethoxy]ethoxy]acetate (PubChem CID 20654316) has the molecular formula C12H22O7 and a molecular weight of 278.30 g/mol. Its IUPAC name is methyl 2-[2-[2-[2-(2-oxopropoxy)ethoxy]ethoxy]ethoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[2-[2-[2-(2-oxopropoxy)ethoxy]ethoxy]ethoxy]acetate
PubChem CID20654316
Molecular FormulaC12H22O7
Molecular Weight278.30 g/mol
Exact Mass278.14
IUPAC Namemethyl 2-[2-[2-[2-(2-oxopropoxy)ethoxy]ethoxy]ethoxy]acetate
SMILESCOC(=O)COCCOCCOCCOCC(C)=O
InChIInChI=1S/C12H22O7/c1-11(13)9-18-7-5-16-3-4-17-6-8-19-10-12(14)15-2/h3-10H2,1-2H3
InChIKeyAFQOPDSGYMMCGO-UHFFFAOYSA-N
XLogP-0.19
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.30
LogP ≤ 5-0.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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 methyl 2-[2-[2-[2-(2-oxopropoxy)ethoxy]ethoxy]ethoxy]acetate?
The IUPAC name of methyl 2-[2-[2-[2-(2-oxopropoxy)ethoxy]ethoxy]ethoxy]acetate (CID 20654316) is methyl 2-[2-[2-[2-(2-oxopropoxy)ethoxy]ethoxy]ethoxy]acetate.
What is the SMILES notation for methyl 2-[2-[2-[2-(2-oxopropoxy)ethoxy]ethoxy]ethoxy]acetate?
The canonical SMILES for methyl 2-[2-[2-[2-(2-oxopropoxy)ethoxy]ethoxy]ethoxy]acetate is COC(=O)COCCOCCOCCOCC(C)=O.
What is the InChIKey of methyl 2-[2-[2-[2-(2-oxopropoxy)ethoxy]ethoxy]ethoxy]acetate?
The InChIKey is AFQOPDSGYMMCGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O7/c1-11(13)9-18-7-5-16-3-4-17-6-8-19-10-12(14)15-2/h3-10H2,1-2H3.
What are the key properties of methyl 2-[2-[2-[2-(2-oxopropoxy)ethoxy]ethoxy]ethoxy]acetate?
methyl 2-[2-[2-[2-(2-oxopropoxy)ethoxy]ethoxy]ethoxy]acetate has a molecular weight of 278.30 g/mol, XLogP of -0.19, 13 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[2-[2-(2-oxopropoxy)ethoxy]ethoxy]ethoxy]acetate is sourced from PubChem (CID 20654316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).