2-[2-[2-(2-propanoyloxyethoxy)ethoxy]ethoxy]ethyl propanoate

C14H26O7 — CID 87481595

IUPAC2-[2-[2-(2-propanoyloxyethoxy)ethoxy]ethoxy]ethyl propanoate
SMILESCCC(=O)OCCOCCOCCOCCOC(=O)CC
InChIInChI=1S/C14H26O7/c1-3-13(15)20-11-9-18-7-5-17-6-8-19-10-12-21-14(16)4-2/h3-12H2,1-2H3
InChIKeyDBGNXYDFQXNOLF-UHFFFAOYSA-N
MW306.35 g/mol
LogP0.94
Rot. Bonds14

About 2-[2-[2-(2-propanoyloxyethoxy)ethoxy]ethoxy]ethyl propanoate

2-[2-[2-(2-propanoyloxyethoxy)ethoxy]ethoxy]ethyl propanoate (PubChem CID 87481595) has the molecular formula C14H26O7 and a molecular weight of 306.35 g/mol. Its IUPAC name is 2-[2-[2-(2-propanoyloxyethoxy)ethoxy]ethoxy]ethyl propanoate.

Molecular Properties

Compound Name2-[2-[2-(2-propanoyloxyethoxy)ethoxy]ethoxy]ethyl propanoate
PubChem CID87481595
Molecular FormulaC14H26O7
Molecular Weight306.35 g/mol
Exact Mass306.17
IUPAC Name2-[2-[2-(2-propanoyloxyethoxy)ethoxy]ethoxy]ethyl propanoate
SMILESCCC(=O)OCCOCCOCCOCCOC(=O)CC
InChIInChI=1S/C14H26O7/c1-3-13(15)20-11-9-18-7-5-17-6-8-19-10-12-21-14(16)4-2/h3-12H2,1-2H3
InChIKeyDBGNXYDFQXNOLF-UHFFFAOYSA-N
XLogP0.94
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.35
LogP ≤ 50.94
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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Related Compounds

2-[2-(2-propoxyethoxy)ethoxy]ethyl propanoate
CID 87832523
2-(2-chloroethoxy)ethyl propanoate
CID 5092973
2-(2,2,2-trifluoroethoxy)ethyl propanoate
CID 88537636
2-(2-propanoyloxyethoxy)acetic acid
CID 171607283
2-ethoxyethyl propanoate;2-methoxyethyl propanoate
CID 87828921
4-oxo-4-[2-[2-(4-oxopentanoyloxy)ethoxy]ethoxy]butanoic acid;2-(2-propanoyloxyethoxy)ethyl propanoate
CID 160907308
14-propanoyloxytetradecyl propanoate
CID 100931915
2-[6-(2-prop-2-enoyloxyethoxy)hexoxy]ethyl propanoate
CID 153320146
bis[2-(2-ethoxyethoxy)ethyl] propanedioate
CID 164851647
ethoxyethane;2-hydroxyethyl propanoate
CID 87293402
2-[2-(2-ethoxyacetyl)oxyethoxy]ethyl 2-ethoxyacetate
CID 121008376
2-[2,2-bis(2-propanoyloxyethoxymethyl)-3-(2-prop-2-enoyloxyethoxy)propoxy]ethyl propanoate
CID 89084261

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2-propanoyloxyethoxy)ethoxy]ethoxy]ethyl propanoate?
The IUPAC name of 2-[2-[2-(2-propanoyloxyethoxy)ethoxy]ethoxy]ethyl propanoate (CID 87481595) is 2-[2-[2-(2-propanoyloxyethoxy)ethoxy]ethoxy]ethyl propanoate.
What is the SMILES notation for 2-[2-[2-(2-propanoyloxyethoxy)ethoxy]ethoxy]ethyl propanoate?
The canonical SMILES for 2-[2-[2-(2-propanoyloxyethoxy)ethoxy]ethoxy]ethyl propanoate is CCC(=O)OCCOCCOCCOCCOC(=O)CC.
What is the InChIKey of 2-[2-[2-(2-propanoyloxyethoxy)ethoxy]ethoxy]ethyl propanoate?
The InChIKey is DBGNXYDFQXNOLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O7/c1-3-13(15)20-11-9-18-7-5-17-6-8-19-10-12-21-14(16)4-2/h3-12H2,1-2H3.
What are the key properties of 2-[2-[2-(2-propanoyloxyethoxy)ethoxy]ethoxy]ethyl propanoate?
2-[2-[2-(2-propanoyloxyethoxy)ethoxy]ethoxy]ethyl propanoate has a molecular weight of 306.35 g/mol, XLogP of 0.94, 14 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2-propanoyloxyethoxy)ethoxy]ethoxy]ethyl propanoate is sourced from PubChem (CID 87481595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).