(E)-1-(2-methoxyethoxy)but-2-ene

C7H14O2 — CID 23321350

IUPAC(E)-1-(2-methoxyethoxy)but-2-ene
SMILESC/C=C/COCCOC
InChIInChI=1S/C7H14O2/c1-3-4-5-9-7-6-8-2/h3-4H,5-7H2,1-2H3/b4-3+
InChIKeySYFKRAXAYXIMGU-ONEGZZNKSA-N
MW130.19 g/mol
LogP1.23
Rot. Bonds5

About (E)-1-(2-methoxyethoxy)but-2-ene

(E)-1-(2-methoxyethoxy)but-2-ene (PubChem CID 23321350) has the molecular formula C7H14O2 and a molecular weight of 130.19 g/mol. Its IUPAC name is (E)-1-(2-methoxyethoxy)but-2-ene.

Molecular Properties

Compound Name(E)-1-(2-methoxyethoxy)but-2-ene
PubChem CID23321350
Molecular FormulaC7H14O2
Molecular Weight130.19 g/mol
Exact Mass130.10
IUPAC Name(E)-1-(2-methoxyethoxy)but-2-ene
SMILESC/C=C/COCCOC
InChIInChI=1S/C7H14O2/c1-3-4-5-9-7-6-8-2/h3-4H,5-7H2,1-2H3/b4-3+
InChIKeySYFKRAXAYXIMGU-ONEGZZNKSA-N
XLogP1.23
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 (E)-1-(2-methoxyethoxy)but-2-ene?
The IUPAC name of (E)-1-(2-methoxyethoxy)but-2-ene (CID 23321350) is (E)-1-(2-methoxyethoxy)but-2-ene.
What is the SMILES notation for (E)-1-(2-methoxyethoxy)but-2-ene?
The canonical SMILES for (E)-1-(2-methoxyethoxy)but-2-ene is C/C=C/COCCOC.
What is the InChIKey of (E)-1-(2-methoxyethoxy)but-2-ene?
The InChIKey is SYFKRAXAYXIMGU-ONEGZZNKSA-N. The full InChI is InChI=1S/C7H14O2/c1-3-4-5-9-7-6-8-2/h3-4H,5-7H2,1-2H3/b4-3+.
What are the key properties of (E)-1-(2-methoxyethoxy)but-2-ene?
(E)-1-(2-methoxyethoxy)but-2-ene has a molecular weight of 130.19 g/mol, XLogP of 1.23, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(2-methoxyethoxy)but-2-ene is sourced from PubChem (CID 23321350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).