2-(2-but-1-enoxyethyl)oxetane

C9H16O2 — CID 152637654

IUPAC2-(2-but-1-enoxyethyl)oxetane
SMILESCCC=COCCC1CCO1
InChIInChI=1S/C9H16O2/c1-2-3-6-10-7-4-9-5-8-11-9/h3,6,9H,2,4-5,7-8H2,1H3
InChIKeyZEWLPQKKHYYYPN-UHFFFAOYSA-N
MW156.22 g/mol
LogP2.11
Rot. Bonds5

About 2-(2-but-1-enoxyethyl)oxetane

2-(2-but-1-enoxyethyl)oxetane (PubChem CID 152637654) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 2-(2-but-1-enoxyethyl)oxetane.

Molecular Properties

Compound Name2-(2-but-1-enoxyethyl)oxetane
PubChem CID152637654
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name2-(2-but-1-enoxyethyl)oxetane
SMILESCCC=COCCC1CCO1
InChIInChI=1S/C9H16O2/c1-2-3-6-10-7-4-9-5-8-11-9/h3,6,9H,2,4-5,7-8H2,1H3
InChIKeyZEWLPQKKHYYYPN-UHFFFAOYSA-N
XLogP2.11
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 52.11
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-but-1-enoxyethyl)oxetane?
The IUPAC name of 2-(2-but-1-enoxyethyl)oxetane (CID 152637654) is 2-(2-but-1-enoxyethyl)oxetane.
What is the SMILES notation for 2-(2-but-1-enoxyethyl)oxetane?
The canonical SMILES for 2-(2-but-1-enoxyethyl)oxetane is CCC=COCCC1CCO1.
What is the InChIKey of 2-(2-but-1-enoxyethyl)oxetane?
The InChIKey is ZEWLPQKKHYYYPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-2-3-6-10-7-4-9-5-8-11-9/h3,6,9H,2,4-5,7-8H2,1H3.
What are the key properties of 2-(2-but-1-enoxyethyl)oxetane?
2-(2-but-1-enoxyethyl)oxetane has a molecular weight of 156.22 g/mol, XLogP of 2.11, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-but-1-enoxyethyl)oxetane is sourced from PubChem (CID 152637654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).