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

C12H24O5 — CID 87832523

IUPAC2-[2-(2-propoxyethoxy)ethoxy]ethyl propanoate
SMILESCCCOCCOCCOCCOC(=O)CC
InChIInChI=1S/C12H24O5/c1-3-5-14-6-7-15-8-9-16-10-11-17-12(13)4-2/h3-11H2,1-2H3
InChIKeyPLGAUFOWDVERNZ-UHFFFAOYSA-N
MW248.32 g/mol
LogP1.40
Rot. Bonds12

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

2-[2-(2-propoxyethoxy)ethoxy]ethyl propanoate (PubChem CID 87832523) has the molecular formula C12H24O5 and a molecular weight of 248.32 g/mol. Its IUPAC name is 2-[2-(2-propoxyethoxy)ethoxy]ethyl propanoate.

Molecular Properties

Compound Name2-[2-(2-propoxyethoxy)ethoxy]ethyl propanoate
PubChem CID87832523
Molecular FormulaC12H24O5
Molecular Weight248.32 g/mol
Exact Mass248.16
IUPAC Name2-[2-(2-propoxyethoxy)ethoxy]ethyl propanoate
SMILESCCCOCCOCCOCCOC(=O)CC
InChIInChI=1S/C12H24O5/c1-3-5-14-6-7-15-8-9-16-10-11-17-12(13)4-2/h3-11H2,1-2H3
InChIKeyPLGAUFOWDVERNZ-UHFFFAOYSA-N
XLogP1.40
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 51.40
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

2-[2-[2-(2-propanoyloxyethoxy)ethoxy]ethoxy]ethyl propanoate
CID 87481595
2-(2-chloroethoxy)ethyl propanoate
CID 5092973
2-(2,2,2-trifluoroethoxy)ethyl propanoate
CID 88537636
2-[2-(2-propoxyethoxy)ethoxy]ethyl carbamate
CID 177163981
2-(2-propanoyloxyethoxy)acetic acid
CID 171607283
2-ethoxyethyl propanoate;2-methoxyethyl propanoate
CID 87828921
2-(2-propoxyethoxy)ethyl 4-methyl-3-oxopentanoate
CID 141473312
2-propoxyethyl 3-(diethylamino)propanoate
CID 58184879
2-(2-propoxyethoxy)ethyl pent-4-ynoate
CID 134215375
butyl 2-(2-propoxyethoxy)acetate
CID 63684669
butyl propanoate;2-(2-hydroxyethoxy)ethanol
CID 157321164
4-oxo-4-[2-[2-(4-oxopentanoyloxy)ethoxy]ethoxy]butanoic acid;2-(2-propanoyloxyethoxy)ethyl propanoate
CID 160907308

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-propoxyethoxy)ethoxy]ethyl propanoate?
The IUPAC name of 2-[2-(2-propoxyethoxy)ethoxy]ethyl propanoate (CID 87832523) is 2-[2-(2-propoxyethoxy)ethoxy]ethyl propanoate.
What is the SMILES notation for 2-[2-(2-propoxyethoxy)ethoxy]ethyl propanoate?
The canonical SMILES for 2-[2-(2-propoxyethoxy)ethoxy]ethyl propanoate is CCCOCCOCCOCCOC(=O)CC.
What is the InChIKey of 2-[2-(2-propoxyethoxy)ethoxy]ethyl propanoate?
The InChIKey is PLGAUFOWDVERNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O5/c1-3-5-14-6-7-15-8-9-16-10-11-17-12(13)4-2/h3-11H2,1-2H3.
What are the key properties of 2-[2-(2-propoxyethoxy)ethoxy]ethyl propanoate?
2-[2-(2-propoxyethoxy)ethoxy]ethyl propanoate has a molecular weight of 248.32 g/mol, XLogP of 1.40, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-propoxyethoxy)ethoxy]ethyl propanoate is sourced from PubChem (CID 87832523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).