(2R)-2-[[(1R,2S)-2-[[(2S)-oxiran-2-yl]methoxy]cyclohexyl]oxymethyl]oxirane

C12H20O4 — CID 129448945

IUPAC(2R)-2-[[(1R,2S)-2-[[(2S)-oxiran-2-yl]methoxy]cyclohexyl]oxymethyl]oxirane
SMILESC1CC[C@@H](OC[C@H]2CO2)[C@@H](OC[C@@H]2CO2)C1
InChIInChI=1S/C12H20O4/c1-2-4-12(16-8-10-6-14-10)11(3-1)15-7-9-5-13-9/h9-12H,1-8H2/t9-,10+,11-,12+
InChIKeyNOYXQFBTCCSKQG-BKUVIOGVSA-N
MW228.29 g/mol
LogP1.13
Rot. Bonds6

About (2R)-2-[[(1R,2S)-2-[[(2S)-oxiran-2-yl]methoxy]cyclohexyl]oxymethyl]oxirane

(2R)-2-[[(1R,2S)-2-[[(2S)-oxiran-2-yl]methoxy]cyclohexyl]oxymethyl]oxirane (PubChem CID 129448945) has the molecular formula C12H20O4 and a molecular weight of 228.29 g/mol. Its IUPAC name is (2R)-2-[[(1R,2S)-2-[[(2S)-oxiran-2-yl]methoxy]cyclohexyl]oxymethyl]oxirane.

Molecular Properties

Compound Name(2R)-2-[[(1R,2S)-2-[[(2S)-oxiran-2-yl]methoxy]cyclohexyl]oxymethyl]oxirane
PubChem CID129448945
Molecular FormulaC12H20O4
Molecular Weight228.29 g/mol
Exact Mass228.14
IUPAC Name(2R)-2-[[(1R,2S)-2-[[(2S)-oxiran-2-yl]methoxy]cyclohexyl]oxymethyl]oxirane
SMILESC1CC[C@@H](OC[C@H]2CO2)[C@@H](OC[C@@H]2CO2)C1
InChIInChI=1S/C12H20O4/c1-2-4-12(16-8-10-6-14-10)11(3-1)15-7-9-5-13-9/h9-12H,1-8H2/t9-,10+,11-,12+
InChIKeyNOYXQFBTCCSKQG-BKUVIOGVSA-N
XLogP1.13
TPSA43.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2R)-2-[[(1R,2S)-2-[[(2S)-oxiran-2-yl]methoxy]cyclohexyl]oxymethyl]oxirane 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

2-[(2-ethylcyclohexyl)methyl]oxirane;2-[(2-ethylcyclohexyl)oxymethyl]oxirane
CID 159077694
(6R)-3,6-bis(oxiran-2-ylmethoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 163672850
(3S,3aR,6S,6aR)-3,6-bis(oxiran-2-ylmethoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 21139666
(2S)-2-[[(2R)-oxiran-2-yl]methoxy]oxane
CID 92982921
2-methyl-3-(oxiran-2-ylmethoxy)oxetane
CID 175220948
2-[[2-[[4-(thiiran-2-ylmethoxy)cyclohexyl]methyl]cyclohexyl]oxymethyl]oxirane
CID 175164070
2-(oxiran-2-ylmethoxy)-7-oxabicyclo[2.2.1]heptane
CID 59502486
2-(oxan-2-ylmethoxy)cyclododecan-1-amine
CID 43099703
butoxy-[3-(oxiran-2-ylmethoxy)oxan-2-yl]silane
CID 173463769
[5-[[5-(cyclotridecyloxymethyl)-1,4-dioxan-2-yl]methoxymethyl]-1,4-dioxan-2-yl]methanol
CID 155137470
3-(oxiran-2-ylmethoxy)oxiran-2-ol
CID 141311016
6,7-bis(oxiran-2-ylmethoxy)-3,8-dioxatricyclo[3.2.1.02,4]octane
CID 59502485

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(1R,2S)-2-[[(2S)-oxiran-2-yl]methoxy]cyclohexyl]oxymethyl]oxirane?
The IUPAC name of (2R)-2-[[(1R,2S)-2-[[(2S)-oxiran-2-yl]methoxy]cyclohexyl]oxymethyl]oxirane (CID 129448945) is (2R)-2-[[(1R,2S)-2-[[(2S)-oxiran-2-yl]methoxy]cyclohexyl]oxymethyl]oxirane.
What is the SMILES notation for (2R)-2-[[(1R,2S)-2-[[(2S)-oxiran-2-yl]methoxy]cyclohexyl]oxymethyl]oxirane?
The canonical SMILES for (2R)-2-[[(1R,2S)-2-[[(2S)-oxiran-2-yl]methoxy]cyclohexyl]oxymethyl]oxirane is C1CC[C@@H](OC[C@H]2CO2)[C@@H](OC[C@@H]2CO2)C1.
What is the InChIKey of (2R)-2-[[(1R,2S)-2-[[(2S)-oxiran-2-yl]methoxy]cyclohexyl]oxymethyl]oxirane?
The InChIKey is NOYXQFBTCCSKQG-BKUVIOGVSA-N. The full InChI is InChI=1S/C12H20O4/c1-2-4-12(16-8-10-6-14-10)11(3-1)15-7-9-5-13-9/h9-12H,1-8H2/t9-,10+,11-,12+.
What are the key properties of (2R)-2-[[(1R,2S)-2-[[(2S)-oxiran-2-yl]methoxy]cyclohexyl]oxymethyl]oxirane?
(2R)-2-[[(1R,2S)-2-[[(2S)-oxiran-2-yl]methoxy]cyclohexyl]oxymethyl]oxirane has a molecular weight of 228.29 g/mol, XLogP of 1.13, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(1R,2S)-2-[[(2S)-oxiran-2-yl]methoxy]cyclohexyl]oxymethyl]oxirane is sourced from PubChem (CID 129448945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).