2-ethoxyethyl propanoate;2-methoxyethyl propanoate

C13H26O6 — CID 87828921

IUPAC2-ethoxyethyl propanoate;2-methoxyethyl propanoate
SMILESCCC(=O)OCCOC.CCOCCOC(=O)CC
InChIInChI=1S/C7H14O3.C6H12O3/c1-3-7(8)10-6-5-9-4-2;1-3-6(7)9-5-4-8-2/h3-6H2,1-2H3;3-5H2,1-2H3
InChIKeyBJQMVQADSOWDSZ-UHFFFAOYSA-N
MW278.34 g/mol
LogP1.56
Rot. Bonds9

About 2-ethoxyethyl propanoate;2-methoxyethyl propanoate

2-ethoxyethyl propanoate;2-methoxyethyl propanoate (PubChem CID 87828921) has the molecular formula C13H26O6 and a molecular weight of 278.34 g/mol. Its IUPAC name is 2-ethoxyethyl propanoate;2-methoxyethyl propanoate.

Molecular Properties

Compound Name2-ethoxyethyl propanoate;2-methoxyethyl propanoate
PubChem CID87828921
Molecular FormulaC13H26O6
Molecular Weight278.34 g/mol
Exact Mass278.17
IUPAC Name2-ethoxyethyl propanoate;2-methoxyethyl propanoate
SMILESCCC(=O)OCCOC.CCOCCOC(=O)CC
InChIInChI=1S/C7H14O3.C6H12O3/c1-3-7(8)10-6-5-9-4-2;1-3-6(7)9-5-4-8-2/h3-6H2,1-2H3;3-5H2,1-2H3
InChIKeyBJQMVQADSOWDSZ-UHFFFAOYSA-N
XLogP1.56
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 51.56
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

2-[2-[2-(2-propanoyloxyethoxy)ethoxy]ethoxy]ethyl propanoate
CID 87481595
2-ethoxyethyl 2-[2-(2-methoxyethoxy)ethoxy]acetate
CID 175750178
1-ethoxy-2-(2-ethoxyethoxy)ethane;2-methoxyethyl acetate
CID 159055885
bis[2-(2-ethoxyethoxy)ethyl] propanedioate
CID 164851647
ethoxyethane;2-hydroxyethyl propanoate
CID 87293402
2-[2-(2-propoxyethoxy)ethoxy]ethyl propanoate
CID 87832523
carbonic acid;1-(2-ethoxyethoxy)-2-methoxyethane
CID 87519570
2-ethoxyethyl 2-fluoroacetate
CID 88537895
bis(1-ethoxy-2-methoxyethane);hydrate
CID 88797439
1,2-dimethoxyethane;1-ethoxy-2-(2-ethoxyethoxy)ethane
CID 159445382
1-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-2-methoxyethane
CID 19982973
2-[[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-2-oxoethyl]amino]ethyl 2-(2-methoxyethylamino)acetate
CID 169059588

Frequently Asked Questions

What is the IUPAC name of 2-ethoxyethyl propanoate;2-methoxyethyl propanoate?
The IUPAC name of 2-ethoxyethyl propanoate;2-methoxyethyl propanoate (CID 87828921) is 2-ethoxyethyl propanoate;2-methoxyethyl propanoate.
What is the SMILES notation for 2-ethoxyethyl propanoate;2-methoxyethyl propanoate?
The canonical SMILES for 2-ethoxyethyl propanoate;2-methoxyethyl propanoate is CCC(=O)OCCOC.CCOCCOC(=O)CC.
What is the InChIKey of 2-ethoxyethyl propanoate;2-methoxyethyl propanoate?
The InChIKey is BJQMVQADSOWDSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O3.C6H12O3/c1-3-7(8)10-6-5-9-4-2;1-3-6(7)9-5-4-8-2/h3-6H2,1-2H3;3-5H2,1-2H3.
What are the key properties of 2-ethoxyethyl propanoate;2-methoxyethyl propanoate?
2-ethoxyethyl propanoate;2-methoxyethyl propanoate has a molecular weight of 278.34 g/mol, XLogP of 1.56, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxyethyl propanoate;2-methoxyethyl propanoate is sourced from PubChem (CID 87828921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).