4-ethyl-3-(3-naphthalen-2-ylpropyl)oxetan-2-one

C18H20O2 — CID 122456295

IUPAC4-ethyl-3-(3-naphthalen-2-ylpropyl)oxetan-2-one
SMILESCCC1OC(=O)C1CCCc1ccc2ccccc2c1
InChIInChI=1S/C18H20O2/c1-2-17-16(18(19)20-17)9-5-6-13-10-11-14-7-3-4-8-15(14)12-13/h3-4,7-8,10-12,16-17H,2,5-6,9H2,1H3
InChIKeyMTJAPOMNTIENFT-UHFFFAOYSA-N
MW268.36 g/mol
LogP4.11
Rot. Bonds5

About 4-ethyl-3-(3-naphthalen-2-ylpropyl)oxetan-2-one

4-ethyl-3-(3-naphthalen-2-ylpropyl)oxetan-2-one (PubChem CID 122456295) has the molecular formula C18H20O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 4-ethyl-3-(3-naphthalen-2-ylpropyl)oxetan-2-one.

Molecular Properties

Compound Name4-ethyl-3-(3-naphthalen-2-ylpropyl)oxetan-2-one
PubChem CID122456295
Molecular FormulaC18H20O2
Molecular Weight268.36 g/mol
Exact Mass268.15
IUPAC Name4-ethyl-3-(3-naphthalen-2-ylpropyl)oxetan-2-one
SMILESCCC1OC(=O)C1CCCc1ccc2ccccc2c1
InChIInChI=1S/C18H20O2/c1-2-17-16(18(19)20-17)9-5-6-13-10-11-14-7-3-4-8-15(14)12-13/h3-4,7-8,10-12,16-17H,2,5-6,9H2,1H3
InChIKeyMTJAPOMNTIENFT-UHFFFAOYSA-N
XLogP4.11
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'four_member_lactones', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3-(3-naphthalen-2-ylpropyl)oxetan-2-one?
The IUPAC name of 4-ethyl-3-(3-naphthalen-2-ylpropyl)oxetan-2-one (CID 122456295) is 4-ethyl-3-(3-naphthalen-2-ylpropyl)oxetan-2-one.
What is the SMILES notation for 4-ethyl-3-(3-naphthalen-2-ylpropyl)oxetan-2-one?
The canonical SMILES for 4-ethyl-3-(3-naphthalen-2-ylpropyl)oxetan-2-one is CCC1OC(=O)C1CCCc1ccc2ccccc2c1.
What is the InChIKey of 4-ethyl-3-(3-naphthalen-2-ylpropyl)oxetan-2-one?
The InChIKey is MTJAPOMNTIENFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O2/c1-2-17-16(18(19)20-17)9-5-6-13-10-11-14-7-3-4-8-15(14)12-13/h3-4,7-8,10-12,16-17H,2,5-6,9H2,1H3.
What are the key properties of 4-ethyl-3-(3-naphthalen-2-ylpropyl)oxetan-2-one?
4-ethyl-3-(3-naphthalen-2-ylpropyl)oxetan-2-one has a molecular weight of 268.36 g/mol, XLogP of 4.11, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3-(3-naphthalen-2-ylpropyl)oxetan-2-one is sourced from PubChem (CID 122456295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).