2-[2-(2-but-2-en-2-yloxyethoxy)ethoxy]but-2-ene

C12H22O3 — CID 87835237

IUPAC2-[2-(2-but-2-en-2-yloxyethoxy)ethoxy]but-2-ene
SMILESCC=C(C)OCCOCCOC(C)=CC
InChIInChI=1S/C12H22O3/c1-5-11(3)14-9-7-13-8-10-15-12(4)6-2/h5-6H,7-10H2,1-4H3
InChIKeyYGXCEUSUWKALEY-UHFFFAOYSA-N
MW214.31 g/mol
LogP2.88
Rot. Bonds8

About 2-[2-(2-but-2-en-2-yloxyethoxy)ethoxy]but-2-ene

2-[2-(2-but-2-en-2-yloxyethoxy)ethoxy]but-2-ene (PubChem CID 87835237) has the molecular formula C12H22O3 and a molecular weight of 214.31 g/mol. Its IUPAC name is 2-[2-(2-but-2-en-2-yloxyethoxy)ethoxy]but-2-ene.

Molecular Properties

Compound Name2-[2-(2-but-2-en-2-yloxyethoxy)ethoxy]but-2-ene
PubChem CID87835237
Molecular FormulaC12H22O3
Molecular Weight214.31 g/mol
Exact Mass214.16
IUPAC Name2-[2-(2-but-2-en-2-yloxyethoxy)ethoxy]but-2-ene
SMILESCC=C(C)OCCOCCOC(C)=CC
InChIInChI=1S/C12H22O3/c1-5-11(3)14-9-7-13-8-10-15-12(4)6-2/h5-6H,7-10H2,1-4H3
InChIKeyYGXCEUSUWKALEY-UHFFFAOYSA-N
XLogP2.88
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-but-2-en-2-yloxyethoxy)ethoxy]but-2-ene?
The IUPAC name of 2-[2-(2-but-2-en-2-yloxyethoxy)ethoxy]but-2-ene (CID 87835237) is 2-[2-(2-but-2-en-2-yloxyethoxy)ethoxy]but-2-ene.
What is the SMILES notation for 2-[2-(2-but-2-en-2-yloxyethoxy)ethoxy]but-2-ene?
The canonical SMILES for 2-[2-(2-but-2-en-2-yloxyethoxy)ethoxy]but-2-ene is CC=C(C)OCCOCCOC(C)=CC.
What is the InChIKey of 2-[2-(2-but-2-en-2-yloxyethoxy)ethoxy]but-2-ene?
The InChIKey is YGXCEUSUWKALEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O3/c1-5-11(3)14-9-7-13-8-10-15-12(4)6-2/h5-6H,7-10H2,1-4H3.
What are the key properties of 2-[2-(2-but-2-en-2-yloxyethoxy)ethoxy]but-2-ene?
2-[2-(2-but-2-en-2-yloxyethoxy)ethoxy]but-2-ene has a molecular weight of 214.31 g/mol, XLogP of 2.88, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-but-2-en-2-yloxyethoxy)ethoxy]but-2-ene is sourced from PubChem (CID 87835237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).