2-methoxy-3-(2-methoxyethoxy)but-2-ene

C8H16O3 — CID 123686647

IUPAC2-methoxy-3-(2-methoxyethoxy)but-2-ene
SMILESCOCCOC(C)=C(C)OC
InChIInChI=1S/C8H16O3/c1-7(10-4)8(2)11-6-5-9-3/h5-6H2,1-4H3
InChIKeyMPOWFWNUTCYARO-UHFFFAOYSA-N
MW160.21 g/mol
LogP1.55
Rot. Bonds5

About 2-methoxy-3-(2-methoxyethoxy)but-2-ene

2-methoxy-3-(2-methoxyethoxy)but-2-ene (PubChem CID 123686647) has the molecular formula C8H16O3 and a molecular weight of 160.21 g/mol. Its IUPAC name is 2-methoxy-3-(2-methoxyethoxy)but-2-ene.

Molecular Properties

Compound Name2-methoxy-3-(2-methoxyethoxy)but-2-ene
PubChem CID123686647
Molecular FormulaC8H16O3
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Name2-methoxy-3-(2-methoxyethoxy)but-2-ene
SMILESCOCCOC(C)=C(C)OC
InChIInChI=1S/C8H16O3/c1-7(10-4)8(2)11-6-5-9-3/h5-6H2,1-4H3
InChIKeyMPOWFWNUTCYARO-UHFFFAOYSA-N
XLogP1.55
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.21
LogP ≤ 51.55
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-methoxy-3-(2-methoxyethoxy)but-2-ene?
The IUPAC name of 2-methoxy-3-(2-methoxyethoxy)but-2-ene (CID 123686647) is 2-methoxy-3-(2-methoxyethoxy)but-2-ene.
What is the SMILES notation for 2-methoxy-3-(2-methoxyethoxy)but-2-ene?
The canonical SMILES for 2-methoxy-3-(2-methoxyethoxy)but-2-ene is COCCOC(C)=C(C)OC.
What is the InChIKey of 2-methoxy-3-(2-methoxyethoxy)but-2-ene?
The InChIKey is MPOWFWNUTCYARO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3/c1-7(10-4)8(2)11-6-5-9-3/h5-6H2,1-4H3.
What are the key properties of 2-methoxy-3-(2-methoxyethoxy)but-2-ene?
2-methoxy-3-(2-methoxyethoxy)but-2-ene has a molecular weight of 160.21 g/mol, XLogP of 1.55, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-(2-methoxyethoxy)but-2-ene is sourced from PubChem (CID 123686647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).