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

C7H14O2 — CID 54192618

IUPAC1-(2-methoxyethoxy)but-1-ene
SMILESCCC=COCCOC
InChIInChI=1S/C7H14O2/c1-3-4-5-9-7-6-8-2/h4-5H,3,6-7H2,1-2H3
InChIKeyXZVJZEAWJMXMPF-UHFFFAOYSA-N
MW130.19 g/mol
LogP1.57
Rot. Bonds5

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

1-(2-methoxyethoxy)but-1-ene (PubChem CID 54192618) has the molecular formula C7H14O2 and a molecular weight of 130.19 g/mol. Its IUPAC name is 1-(2-methoxyethoxy)but-1-ene.

Molecular Properties

Compound Name1-(2-methoxyethoxy)but-1-ene
PubChem CID54192618
Molecular FormulaC7H14O2
Molecular Weight130.19 g/mol
Exact Mass130.10
IUPAC Name1-(2-methoxyethoxy)but-1-ene
SMILESCCC=COCCOC
InChIInChI=1S/C7H14O2/c1-3-4-5-9-7-6-8-2/h4-5H,3,6-7H2,1-2H3
InChIKeyXZVJZEAWJMXMPF-UHFFFAOYSA-N
XLogP1.57
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 ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(2-methoxyethoxy)but-1-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,4-bis[(E)-but-1-enoxy]butane
CID 22051874
3-but-1-enoxypropyl-tris(2-methoxyethoxy)silane
CID 141080753
1-(2-chloroethoxy)but-1-ene
CID 123683593
1-[(E)-but-1-enoxy]butane
CID 5364928
2-[2-(2-but-1-enoxyethoxy)ethoxy]ethanol
CID 140501157
1-[(E)-but-1-enoxy]heptane
CID 5366295
4-but-1-enoxy-1,1,1-trimethoxybutane
CID 151725482
2-but-1-enoxy-N-(2-but-1-enoxyethyl)-N-ethylethanamine
CID 121299823
4-but-1-enoxybutyl acetate
CID 86593756
(Z)-1-methoxybut-1-ene
CID 5366227
(E)-1-methoxyhex-3-ene
CID 5364208
1-(2-methoxyethoxy)buta-1,3-diene
CID 123812918

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethoxy)but-1-ene?
The IUPAC name of 1-(2-methoxyethoxy)but-1-ene (CID 54192618) is 1-(2-methoxyethoxy)but-1-ene.
What is the SMILES notation for 1-(2-methoxyethoxy)but-1-ene?
The canonical SMILES for 1-(2-methoxyethoxy)but-1-ene is CCC=COCCOC.
What is the InChIKey of 1-(2-methoxyethoxy)but-1-ene?
The InChIKey is XZVJZEAWJMXMPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O2/c1-3-4-5-9-7-6-8-2/h4-5H,3,6-7H2,1-2H3.
What are the key properties of 1-(2-methoxyethoxy)but-1-ene?
1-(2-methoxyethoxy)but-1-ene has a molecular weight of 130.19 g/mol, XLogP of 1.57, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethoxy)but-1-ene is sourced from PubChem (CID 54192618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).