3-ethoxy-2-(3-ethoxybut-1-en-2-yloxy)but-1-ene

C12H22O3 — CID 87295501

IUPAC3-ethoxy-2-(3-ethoxybut-1-en-2-yloxy)but-1-ene
SMILESC=C(OC(=C)C(C)OCC)C(C)OCC
InChIInChI=1S/C12H22O3/c1-7-13-9(3)11(5)15-12(6)10(4)14-8-2/h9-10H,5-8H2,1-4H3
InChIKeyZLCUBLYTBZIRLN-UHFFFAOYSA-N
MW214.30 g/mol
LogP2.88
Rot. Bonds8

About 3-ethoxy-2-(3-ethoxybut-1-en-2-yloxy)but-1-ene

3-ethoxy-2-(3-ethoxybut-1-en-2-yloxy)but-1-ene (PubChem CID 87295501) has the molecular formula C12H22O3 and a molecular weight of 214.30 g/mol. Its IUPAC name is 3-ethoxy-2-(3-ethoxybut-1-en-2-yloxy)but-1-ene.

Molecular Properties

Compound Name3-ethoxy-2-(3-ethoxybut-1-en-2-yloxy)but-1-ene
PubChem CID87295501
Molecular FormulaC12H22O3
Molecular Weight214.30 g/mol
Exact Mass214.16
IUPAC Name3-ethoxy-2-(3-ethoxybut-1-en-2-yloxy)but-1-ene
SMILESC=C(OC(=C)C(C)OCC)C(C)OCC
InChIInChI=1S/C12H22O3/c1-7-13-9(3)11(5)15-12(6)10(4)14-8-2/h9-10H,5-8H2,1-4H3
InChIKeyZLCUBLYTBZIRLN-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 ≤ 500214.30
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'}

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-2-(3-ethoxybut-1-en-2-yloxy)but-1-ene?
The IUPAC name of 3-ethoxy-2-(3-ethoxybut-1-en-2-yloxy)but-1-ene (CID 87295501) is 3-ethoxy-2-(3-ethoxybut-1-en-2-yloxy)but-1-ene.
What is the SMILES notation for 3-ethoxy-2-(3-ethoxybut-1-en-2-yloxy)but-1-ene?
The canonical SMILES for 3-ethoxy-2-(3-ethoxybut-1-en-2-yloxy)but-1-ene is C=C(OC(=C)C(C)OCC)C(C)OCC.
What is the InChIKey of 3-ethoxy-2-(3-ethoxybut-1-en-2-yloxy)but-1-ene?
The InChIKey is ZLCUBLYTBZIRLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O3/c1-7-13-9(3)11(5)15-12(6)10(4)14-8-2/h9-10H,5-8H2,1-4H3.
What are the key properties of 3-ethoxy-2-(3-ethoxybut-1-en-2-yloxy)but-1-ene?
3-ethoxy-2-(3-ethoxybut-1-en-2-yloxy)but-1-ene has a molecular weight of 214.30 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 3-ethoxy-2-(3-ethoxybut-1-en-2-yloxy)but-1-ene is sourced from PubChem (CID 87295501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).