1-(2-but-3-enoxyethoxy)butane

C10H20O2 — CID 18985127

IUPAC1-(2-but-3-enoxyethoxy)butane
SMILESC=CCCOCCOCCCC
InChIInChI=1S/C10H20O2/c1-3-5-7-11-9-10-12-8-6-4-2/h3H,1,4-10H2,2H3
InChIKeyAHJQWWYEYPMKPU-UHFFFAOYSA-N
MW172.27 g/mol
LogP2.40
Rot. Bonds9

About 1-(2-but-3-enoxyethoxy)butane

1-(2-but-3-enoxyethoxy)butane (PubChem CID 18985127) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 1-(2-but-3-enoxyethoxy)butane.

Molecular Properties

Compound Name1-(2-but-3-enoxyethoxy)butane
PubChem CID18985127
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name1-(2-but-3-enoxyethoxy)butane
SMILESC=CCCOCCOCCCC
InChIInChI=1S/C10H20O2/c1-3-5-7-11-9-10-12-8-6-4-2/h3H,1,4-10H2,2H3
InChIKeyAHJQWWYEYPMKPU-UHFFFAOYSA-N
XLogP2.40
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 52.40
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 1-(2-but-3-enoxyethoxy)butane?
The IUPAC name of 1-(2-but-3-enoxyethoxy)butane (CID 18985127) is 1-(2-but-3-enoxyethoxy)butane.
What is the SMILES notation for 1-(2-but-3-enoxyethoxy)butane?
The canonical SMILES for 1-(2-but-3-enoxyethoxy)butane is C=CCCOCCOCCCC.
What is the InChIKey of 1-(2-but-3-enoxyethoxy)butane?
The InChIKey is AHJQWWYEYPMKPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-3-5-7-11-9-10-12-8-6-4-2/h3H,1,4-10H2,2H3.
What are the key properties of 1-(2-but-3-enoxyethoxy)butane?
1-(2-but-3-enoxyethoxy)butane has a molecular weight of 172.27 g/mol, XLogP of 2.40, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-but-3-enoxyethoxy)butane is sourced from PubChem (CID 18985127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).