2-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethoxy]ethyl acetate

C13H24O6 — CID 525183

IUPAC2-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethoxy]ethyl acetate
SMILESC=CCOCCOCCOCCOCCOC(C)=O
InChIInChI=1S/C13H24O6/c1-3-4-15-5-6-16-7-8-17-9-10-18-11-12-19-13(2)14/h3H,1,4-12H2,2H3
InChIKeyVDTCQMRHLAJIRL-UHFFFAOYSA-N
MW276.33 g/mol
LogP0.80
Rot. Bonds14

About 2-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethoxy]ethyl acetate

2-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethoxy]ethyl acetate (PubChem CID 525183) has the molecular formula C13H24O6 and a molecular weight of 276.33 g/mol. Its IUPAC name is 2-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethoxy]ethyl acetate.

Molecular Properties

Compound Name2-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethoxy]ethyl acetate
PubChem CID525183
Molecular FormulaC13H24O6
Molecular Weight276.33 g/mol
Exact Mass276.16
IUPAC Name2-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethoxy]ethyl acetate
SMILESC=CCOCCOCCOCCOCCOC(C)=O
InChIInChI=1S/C13H24O6/c1-3-4-15-5-6-16-7-8-17-9-10-18-11-12-19-13(2)14/h3H,1,4-12H2,2H3
InChIKeyVDTCQMRHLAJIRL-UHFFFAOYSA-N
XLogP0.80
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethoxy]ethyl acetate?
The IUPAC name of 2-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethoxy]ethyl acetate (CID 525183) is 2-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethoxy]ethyl acetate.
What is the SMILES notation for 2-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethoxy]ethyl acetate?
The canonical SMILES for 2-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethoxy]ethyl acetate is C=CCOCCOCCOCCOCCOC(C)=O.
What is the InChIKey of 2-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethoxy]ethyl acetate?
The InChIKey is VDTCQMRHLAJIRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O6/c1-3-4-15-5-6-16-7-8-17-9-10-18-11-12-19-13(2)14/h3H,1,4-12H2,2H3.
What are the key properties of 2-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethoxy]ethyl acetate?
2-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethoxy]ethyl acetate has a molecular weight of 276.33 g/mol, XLogP of 0.80, 14 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethoxy]ethyl acetate is sourced from PubChem (CID 525183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).