2-(2-but-1-enoxyethyl)-2-phenyloxetane

C15H20O2 — CID 141062644

IUPAC2-(2-but-1-enoxyethyl)-2-phenyloxetane
SMILESCCC=COCCC1(c2ccccc2)CCO1
InChIInChI=1S/C15H20O2/c1-2-3-11-16-12-9-15(10-13-17-15)14-7-5-4-6-8-14/h3-8,11H,2,9-10,12-13H2,1H3
InChIKeyZWPPFKJHHPEZMJ-UHFFFAOYSA-N
MW232.32 g/mol
LogP3.63
Rot. Bonds6

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

2-(2-but-1-enoxyethyl)-2-phenyloxetane (PubChem CID 141062644) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is 2-(2-but-1-enoxyethyl)-2-phenyloxetane.

Molecular Properties

Compound Name2-(2-but-1-enoxyethyl)-2-phenyloxetane
PubChem CID141062644
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name2-(2-but-1-enoxyethyl)-2-phenyloxetane
SMILESCCC=COCCC1(c2ccccc2)CCO1
InChIInChI=1S/C15H20O2/c1-2-3-11-16-12-9-15(10-13-17-15)14-7-5-4-6-8-14/h3-8,11H,2,9-10,12-13H2,1H3
InChIKeyZWPPFKJHHPEZMJ-UHFFFAOYSA-N
XLogP3.63
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 53.63
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)-2-phenyloxetane?
The IUPAC name of 2-(2-but-1-enoxyethyl)-2-phenyloxetane (CID 141062644) is 2-(2-but-1-enoxyethyl)-2-phenyloxetane.
What is the SMILES notation for 2-(2-but-1-enoxyethyl)-2-phenyloxetane?
The canonical SMILES for 2-(2-but-1-enoxyethyl)-2-phenyloxetane is CCC=COCCC1(c2ccccc2)CCO1.
What is the InChIKey of 2-(2-but-1-enoxyethyl)-2-phenyloxetane?
The InChIKey is ZWPPFKJHHPEZMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2/c1-2-3-11-16-12-9-15(10-13-17-15)14-7-5-4-6-8-14/h3-8,11H,2,9-10,12-13H2,1H3.
What are the key properties of 2-(2-but-1-enoxyethyl)-2-phenyloxetane?
2-(2-but-1-enoxyethyl)-2-phenyloxetane has a molecular weight of 232.32 g/mol, XLogP of 3.63, 6 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)-2-phenyloxetane is sourced from PubChem (CID 141062644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).