3-[5-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxyoxetane

C16H16O4 — CID 144830025

IUPAC3-[5-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxyoxetane
SMILESc1cc(OCC2CO2)c2ccc(OC3COC3)cc2c1
InChIInChI=1S/C16H16O4/c1-2-11-6-12(20-14-7-17-8-14)4-5-15(11)16(3-1)19-10-13-9-18-13/h1-6,13-14H,7-10H2
InChIKeyUDWNQMOUPMVZBM-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.39
Rot. Bonds5

About 3-[5-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxyoxetane

3-[5-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxyoxetane (PubChem CID 144830025) has the molecular formula C16H16O4 and a molecular weight of 272.30 g/mol. Its IUPAC name is 3-[5-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxyoxetane.

Molecular Properties

Compound Name3-[5-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxyoxetane
PubChem CID144830025
Molecular FormulaC16H16O4
Molecular Weight272.30 g/mol
Exact Mass272.10
IUPAC Name3-[5-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxyoxetane
SMILESc1cc(OCC2CO2)c2ccc(OC3COC3)cc2c1
InChIInChI=1S/C16H16O4/c1-2-11-6-12(20-14-7-17-8-14)4-5-15(11)16(3-1)19-10-13-9-18-13/h1-6,13-14H,7-10H2
InChIKeyUDWNQMOUPMVZBM-UHFFFAOYSA-N
XLogP2.39
TPSA40.22 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-[[5-[[(2R)-oxiran-2-yl]methoxy]naphthalen-2-yl]oxymethyl]oxirane
CID 681871
2-[[5-[2-(oxiran-2-yl)ethoxy]naphthalen-2-yl]oxymethyl]oxirane
CID 163606468
(2S)-2-[[3-[[(2R)-oxiran-2-yl]methoxy]naphthalen-1-yl]oxymethyl]oxirane
CID 89326132
(2S)-2-(naphthalen-2-yloxymethyl)oxirane
CID 726163
ethane;2-[(2-methylphenoxy)methyl]oxirane;bis(2-(naphthalen-1-yloxymethyl)oxirane);propane
CID 158467140
1,4-diethylbenzene;methane;bis(2-(naphthalen-1-yloxymethyl)oxirane)
CID 158268997
N-[5-(oxiran-2-ylmethoxy)naphthalen-2-yl]propanamide
CID 163899201
2-[(5-methylnaphthalen-1-yl)oxymethyl]oxirane
CID 129074160
5-(oxiran-2-ylmethoxy)naphthalen-1-ol
CID 13305201
2-[[1-[2-(oxiran-2-ylmethoxy)naphthalen-1-yl]naphthalen-2-yl]oxymethyl]oxirane
CID 86159181
sodium;3-bromoprop-1-ene;hydride;1-[7-[2-hydroxy-3-[5-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxypropoxy]naphthalen-2-yl]oxy-3-[5-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxypropan-2-ol;2-[[6-[3-[7-[3-[5-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxy-2-prop-2-enoxypropoxy]naphthalen-2-yl]oxy-2-prop-2-enoxypropoxy]naphthalen-1-yl]oxymethyl]oxirane
CID 158081987
2-[[2-[2,6-bis(oxiran-2-ylmethoxy)phenyl]-5-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane
CID 129094059

Frequently Asked Questions

What is the IUPAC name of 3-[5-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxyoxetane?
The IUPAC name of 3-[5-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxyoxetane (CID 144830025) is 3-[5-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxyoxetane.
What is the SMILES notation for 3-[5-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxyoxetane?
The canonical SMILES for 3-[5-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxyoxetane is c1cc(OCC2CO2)c2ccc(OC3COC3)cc2c1.
What is the InChIKey of 3-[5-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxyoxetane?
The InChIKey is UDWNQMOUPMVZBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O4/c1-2-11-6-12(20-14-7-17-8-14)4-5-15(11)16(3-1)19-10-13-9-18-13/h1-6,13-14H,7-10H2.
What are the key properties of 3-[5-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxyoxetane?
3-[5-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxyoxetane has a molecular weight of 272.30 g/mol, XLogP of 2.39, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxyoxetane is sourced from PubChem (CID 144830025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).