methyl 3-[3-(2-methoxyethoxy)propoxy]-2,2-dimethylpropanoate

C12H24O5 — CID 103400749

IUPACmethyl 3-[3-(2-methoxyethoxy)propoxy]-2,2-dimethylpropanoate
SMILESCOCCOCCCOCC(C)(C)C(=O)OC
InChIInChI=1S/C12H24O5/c1-12(2,11(13)15-4)10-17-7-5-6-16-9-8-14-3/h5-10H2,1-4H3
InChIKeyYJNCTARURZSLSG-UHFFFAOYSA-N
MW248.32 g/mol
LogP1.26
Rot. Bonds10

About methyl 3-[3-(2-methoxyethoxy)propoxy]-2,2-dimethylpropanoate

methyl 3-[3-(2-methoxyethoxy)propoxy]-2,2-dimethylpropanoate (PubChem CID 103400749) has the molecular formula C12H24O5 and a molecular weight of 248.32 g/mol. Its IUPAC name is methyl 3-[3-(2-methoxyethoxy)propoxy]-2,2-dimethylpropanoate.

Molecular Properties

Compound Namemethyl 3-[3-(2-methoxyethoxy)propoxy]-2,2-dimethylpropanoate
PubChem CID103400749
Molecular FormulaC12H24O5
Molecular Weight248.32 g/mol
Exact Mass248.16
IUPAC Namemethyl 3-[3-(2-methoxyethoxy)propoxy]-2,2-dimethylpropanoate
SMILESCOCCOCCCOCC(C)(C)C(=O)OC
InChIInChI=1S/C12H24O5/c1-12(2,11(13)15-4)10-17-7-5-6-16-9-8-14-3/h5-10H2,1-4H3
InChIKeyYJNCTARURZSLSG-UHFFFAOYSA-N
XLogP1.26
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 3-butoxy-2,2-dimethylpropanoate
CID 79623220
methyl 2,2-dimethyl-3-(4-methylpentoxy)propanoate
CID 79623214
3-[3-(2-methoxyethoxy)propoxy]-2,2-dimethylpropanehydrazide
CID 103407191
methyl 2,2-dimethyl-3-[2-(methylamino)ethoxy]propanoate
CID 106939453
methyl 2-amino-2-cyclopropyl-3-[3-(2-methoxyethoxy)propoxy]propanoate
CID 103404790
methyl 5-methoxy-2,2-dimethylpentanoate
CID 89066099
3-(2-methoxyethoxy)propyl 2-amino-2-methylpropanoate
CID 103403303
N-tert-butyl-2-[2-[2-[2-(3-methoxypropoxy)ethoxy]ethoxy]ethoxy]acetamide
CID 138656709
methyl 2-(ethylamino)-5-[2-(3-methoxypropoxy)ethoxy]-2-methylpentanoate
CID 103179847
2-[3-(2-methoxyethoxy)propoxy]acetic acid
CID 87577722
methyl 2-(cyclopropylamino)-4-[3-(2-methoxyethoxy)propoxy]-2-methylbutanoate
CID 103404585
3-[2-(3-methoxypropoxy)ethoxy]-2-methyl-2-(methylamino)propanamide
CID 103180146

Frequently Asked Questions

What is the IUPAC name of methyl 3-[3-(2-methoxyethoxy)propoxy]-2,2-dimethylpropanoate?
The IUPAC name of methyl 3-[3-(2-methoxyethoxy)propoxy]-2,2-dimethylpropanoate (CID 103400749) is methyl 3-[3-(2-methoxyethoxy)propoxy]-2,2-dimethylpropanoate.
What is the SMILES notation for methyl 3-[3-(2-methoxyethoxy)propoxy]-2,2-dimethylpropanoate?
The canonical SMILES for methyl 3-[3-(2-methoxyethoxy)propoxy]-2,2-dimethylpropanoate is COCCOCCCOCC(C)(C)C(=O)OC.
What is the InChIKey of methyl 3-[3-(2-methoxyethoxy)propoxy]-2,2-dimethylpropanoate?
The InChIKey is YJNCTARURZSLSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O5/c1-12(2,11(13)15-4)10-17-7-5-6-16-9-8-14-3/h5-10H2,1-4H3.
What are the key properties of methyl 3-[3-(2-methoxyethoxy)propoxy]-2,2-dimethylpropanoate?
methyl 3-[3-(2-methoxyethoxy)propoxy]-2,2-dimethylpropanoate has a molecular weight of 248.32 g/mol, XLogP of 1.26, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[3-(2-methoxyethoxy)propoxy]-2,2-dimethylpropanoate is sourced from PubChem (CID 103400749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).