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

C10H20O4 — CID 19986593

IUPAC2-[2-(2-but-3-en-2-yloxyethoxy)ethoxy]ethanol
SMILESC=CC(C)OCCOCCOCCO
InChIInChI=1S/C10H20O4/c1-3-10(2)14-9-8-13-7-6-12-5-4-11/h3,10-11H,1,4-9H2,2H3
InChIKeyYUJMWHCRFPRSOF-UHFFFAOYSA-N
MW204.27 g/mol
LogP0.60
Rot. Bonds10

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

2-[2-(2-but-3-en-2-yloxyethoxy)ethoxy]ethanol (PubChem CID 19986593) has the molecular formula C10H20O4 and a molecular weight of 204.27 g/mol. Its IUPAC name is 2-[2-(2-but-3-en-2-yloxyethoxy)ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-(2-but-3-en-2-yloxyethoxy)ethoxy]ethanol
PubChem CID19986593
Molecular FormulaC10H20O4
Molecular Weight204.27 g/mol
Exact Mass204.14
IUPAC Name2-[2-(2-but-3-en-2-yloxyethoxy)ethoxy]ethanol
SMILESC=CC(C)OCCOCCOCCO
InChIInChI=1S/C10H20O4/c1-3-10(2)14-9-8-13-7-6-12-5-4-11/h3,10-11H,1,4-9H2,2H3
InChIKeyYUJMWHCRFPRSOF-UHFFFAOYSA-N
XLogP0.60
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-but-3-en-2-yloxyethoxy)ethoxy]ethanol?
The IUPAC name of 2-[2-(2-but-3-en-2-yloxyethoxy)ethoxy]ethanol (CID 19986593) is 2-[2-(2-but-3-en-2-yloxyethoxy)ethoxy]ethanol.
What is the SMILES notation for 2-[2-(2-but-3-en-2-yloxyethoxy)ethoxy]ethanol?
The canonical SMILES for 2-[2-(2-but-3-en-2-yloxyethoxy)ethoxy]ethanol is C=CC(C)OCCOCCOCCO.
What is the InChIKey of 2-[2-(2-but-3-en-2-yloxyethoxy)ethoxy]ethanol?
The InChIKey is YUJMWHCRFPRSOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O4/c1-3-10(2)14-9-8-13-7-6-12-5-4-11/h3,10-11H,1,4-9H2,2H3.
What are the key properties of 2-[2-(2-but-3-en-2-yloxyethoxy)ethoxy]ethanol?
2-[2-(2-but-3-en-2-yloxyethoxy)ethoxy]ethanol has a molecular weight of 204.27 g/mol, XLogP of 0.60, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-but-3-en-2-yloxyethoxy)ethoxy]ethanol is sourced from PubChem (CID 19986593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).