4-[[(2R)-oxiran-2-yl]methyl]oxane

C8H14O2 — CID 15939149

IUPAC4-[[(2R)-oxiran-2-yl]methyl]oxane
SMILESC1CC(C[C@@H]2CO2)CCO1
InChIInChI=1S/C8H14O2/c1-3-9-4-2-7(1)5-8-6-10-8/h7-8H,1-6H2/t8-/m1/s1
InChIKeyPNHQRIYJWXENJW-MRVPVSSYSA-N
MW142.20 g/mol
LogP1.20
Rot. Bonds2

About 4-[[(2R)-oxiran-2-yl]methyl]oxane

4-[[(2R)-oxiran-2-yl]methyl]oxane (PubChem CID 15939149) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 4-[[(2R)-oxiran-2-yl]methyl]oxane.

Molecular Properties

Compound Name4-[[(2R)-oxiran-2-yl]methyl]oxane
PubChem CID15939149
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name4-[[(2R)-oxiran-2-yl]methyl]oxane
SMILESC1CC(C[C@@H]2CO2)CCO1
InChIInChI=1S/C8H14O2/c1-3-9-4-2-7(1)5-8-6-10-8/h7-8H,1-6H2/t8-/m1/s1
InChIKeyPNHQRIYJWXENJW-MRVPVSSYSA-N
XLogP1.20
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[[(2R)-oxiran-2-yl]methyl]oxane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(Methoxymethyl)-6-oxabicyclo[3.1.0]hexane
CID 22013148
3-(Oxiran-2-yl)oxane
CID 64138143
5-(Oxiran-2-yl)-2-oxabicyclo[4.1.0]heptane
CID 129754548
(1R,5R)-3-(methoxymethyl)-6-oxabicyclo[3.1.0]hexane
CID 53805858
3-(1-Propoxyethyl)oxane
CID 56990213
3-(1-Methoxyethyl)oxane
CID 57141283
2-Methyl-5-(oxiran-2-yl)oxane
CID 89105135
2-Methyl-4-(2-methyloxiran-2-yl)oxane
CID 89260335
2-Methyl-3-[2-(3-methylbutoxymethyl)butyl]oxirane
CID 89324622
(2S,3S)-3-ethyl-5-(methoxymethyl)-2-methyloxane
CID 89946035
2-(1-Ethoxy-4-methylpentan-3-yl)-3-methyloxirane
CID 91253331
3-(Propoxymethyl)-6-oxabicyclo[3.1.0]hexane
CID 117943384

Frequently Asked Questions

What is the IUPAC name of 4-[[(2R)-oxiran-2-yl]methyl]oxane?
The IUPAC name of 4-[[(2R)-oxiran-2-yl]methyl]oxane (CID 15939149) is 4-[[(2R)-oxiran-2-yl]methyl]oxane.
What is the SMILES notation for 4-[[(2R)-oxiran-2-yl]methyl]oxane?
The canonical SMILES for 4-[[(2R)-oxiran-2-yl]methyl]oxane is C1CC(C[C@@H]2CO2)CCO1.
What is the InChIKey of 4-[[(2R)-oxiran-2-yl]methyl]oxane?
The InChIKey is PNHQRIYJWXENJW-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H14O2/c1-3-9-4-2-7(1)5-8-6-10-8/h7-8H,1-6H2/t8-/m1/s1.
What are the key properties of 4-[[(2R)-oxiran-2-yl]methyl]oxane?
4-[[(2R)-oxiran-2-yl]methyl]oxane has a molecular weight of 142.20 g/mol, XLogP of 1.20, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2R)-oxiran-2-yl]methyl]oxane is sourced from PubChem (CID 15939149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).