2-[2-[2-(2-but-3-en-2-yloxyethoxy)ethoxy]ethoxy]ethanol

C12H24O5 — CID 19986599

IUPAC2-[2-[2-(2-but-3-en-2-yloxyethoxy)ethoxy]ethoxy]ethanol
SMILESC=CC(C)OCCOCCOCCOCCO
InChIInChI=1S/C12H24O5/c1-3-12(2)17-11-10-16-9-8-15-7-6-14-5-4-13/h3,12-13H,1,4-11H2,2H3
InChIKeyJBJMAHWKHHWSCD-UHFFFAOYSA-N
MW248.32 g/mol
LogP0.62
Rot. Bonds13

About 2-[2-[2-(2-but-3-en-2-yloxyethoxy)ethoxy]ethoxy]ethanol

2-[2-[2-(2-but-3-en-2-yloxyethoxy)ethoxy]ethoxy]ethanol (PubChem CID 19986599) has the molecular formula C12H24O5 and a molecular weight of 248.32 g/mol. Its IUPAC name is 2-[2-[2-(2-but-3-en-2-yloxyethoxy)ethoxy]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[2-(2-but-3-en-2-yloxyethoxy)ethoxy]ethoxy]ethanol
PubChem CID19986599
Molecular FormulaC12H24O5
Molecular Weight248.32 g/mol
Exact Mass248.16
IUPAC Name2-[2-[2-(2-but-3-en-2-yloxyethoxy)ethoxy]ethoxy]ethanol
SMILESC=CC(C)OCCOCCOCCOCCO
InChIInChI=1S/C12H24O5/c1-3-12(2)17-11-10-16-9-8-15-7-6-14-5-4-13/h3,12-13H,1,4-11H2,2H3
InChIKeyJBJMAHWKHHWSCD-UHFFFAOYSA-N
XLogP0.62
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-but-3-en-2-yloxyethoxy)ethoxy]ethoxy]ethanol?
The IUPAC name of 2-[2-[2-(2-but-3-en-2-yloxyethoxy)ethoxy]ethoxy]ethanol (CID 19986599) is 2-[2-[2-(2-but-3-en-2-yloxyethoxy)ethoxy]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[2-(2-but-3-en-2-yloxyethoxy)ethoxy]ethoxy]ethanol?
The canonical SMILES for 2-[2-[2-(2-but-3-en-2-yloxyethoxy)ethoxy]ethoxy]ethanol is C=CC(C)OCCOCCOCCOCCO.
What is the InChIKey of 2-[2-[2-(2-but-3-en-2-yloxyethoxy)ethoxy]ethoxy]ethanol?
The InChIKey is JBJMAHWKHHWSCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O5/c1-3-12(2)17-11-10-16-9-8-15-7-6-14-5-4-13/h3,12-13H,1,4-11H2,2H3.
What are the key properties of 2-[2-[2-(2-but-3-en-2-yloxyethoxy)ethoxy]ethoxy]ethanol?
2-[2-[2-(2-but-3-en-2-yloxyethoxy)ethoxy]ethoxy]ethanol has a molecular weight of 248.32 g/mol, XLogP of 0.62, 13 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2-but-3-en-2-yloxyethoxy)ethoxy]ethoxy]ethanol is sourced from PubChem (CID 19986599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).