2,2,3-trimethoxy-3-[3-(oxiran-2-ylmethoxy)propyl]oxetane

C12H22O6 — CID 151905647

IUPAC2,2,3-trimethoxy-3-[3-(oxiran-2-ylmethoxy)propyl]oxetane
SMILESCOC1(CCCOCC2CO2)COC1(OC)OC
InChIInChI=1S/C12H22O6/c1-13-11(9-18-12(11,14-2)15-3)5-4-6-16-7-10-8-17-10/h10H,4-9H2,1-3H3
InChIKeySTRGZEHLIASCNP-UHFFFAOYSA-N
MW262.30 g/mol
LogP0.54
Rot. Bonds9

About 2,2,3-trimethoxy-3-[3-(oxiran-2-ylmethoxy)propyl]oxetane

2,2,3-trimethoxy-3-[3-(oxiran-2-ylmethoxy)propyl]oxetane (PubChem CID 151905647) has the molecular formula C12H22O6 and a molecular weight of 262.30 g/mol. Its IUPAC name is 2,2,3-trimethoxy-3-[3-(oxiran-2-ylmethoxy)propyl]oxetane.

Molecular Properties

Compound Name2,2,3-trimethoxy-3-[3-(oxiran-2-ylmethoxy)propyl]oxetane
PubChem CID151905647
Molecular FormulaC12H22O6
Molecular Weight262.30 g/mol
Exact Mass262.14
IUPAC Name2,2,3-trimethoxy-3-[3-(oxiran-2-ylmethoxy)propyl]oxetane
SMILESCOC1(CCCOCC2CO2)COC1(OC)OC
InChIInChI=1S/C12H22O6/c1-13-11(9-18-12(11,14-2)15-3)5-4-6-16-7-10-8-17-10/h10H,4-9H2,1-3H3
InChIKeySTRGZEHLIASCNP-UHFFFAOYSA-N
XLogP0.54
TPSA58.68 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.30
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 2,2,3-trimethoxy-3-[3-(oxiran-2-ylmethoxy)propyl]oxetane 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

2,2,3-trimethoxy-3-[3-(oxiran-2-ylmethoxy)propyl]oxane
CID 151765401
2-(4-methoxybutoxymethyl)oxirane
CID 58151519
(2R)-2-(3-methoxypropoxymethyl)oxirane
CID 130493223
2-[4-[4-[4-(oxiran-2-ylmethoxy)butoxy]butoxy]butoxymethyl]oxirane
CID 130476668
2-[4-[4-[4-[4-[4-[4-[4-[4-[4-(oxiran-2-ylmethoxy)butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxymethyl]oxirane
CID 130476685
2-[18-(oxiran-2-ylmethoxy)octadecoxymethyl]oxirane
CID 172718038
2-[3-[2-(3-methoxypropoxy)ethoxy]propoxymethyl]oxirane
CID 101393644
2-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(oxiran-2-ylmethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxymethyl]oxirane
CID 91036446
CID 166063430
CID 166063430
2-(pentoxymethyl)oxirane
CID 160890113
2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]oxirane
CID 90384181
2-(decoxymethyl)oxirane;2-(nonoxymethyl)oxirane;2-(octoxymethyl)oxirane
CID 71311396

Frequently Asked Questions

What is the IUPAC name of 2,2,3-trimethoxy-3-[3-(oxiran-2-ylmethoxy)propyl]oxetane?
The IUPAC name of 2,2,3-trimethoxy-3-[3-(oxiran-2-ylmethoxy)propyl]oxetane (CID 151905647) is 2,2,3-trimethoxy-3-[3-(oxiran-2-ylmethoxy)propyl]oxetane.
What is the SMILES notation for 2,2,3-trimethoxy-3-[3-(oxiran-2-ylmethoxy)propyl]oxetane?
The canonical SMILES for 2,2,3-trimethoxy-3-[3-(oxiran-2-ylmethoxy)propyl]oxetane is COC1(CCCOCC2CO2)COC1(OC)OC.
What is the InChIKey of 2,2,3-trimethoxy-3-[3-(oxiran-2-ylmethoxy)propyl]oxetane?
The InChIKey is STRGZEHLIASCNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O6/c1-13-11(9-18-12(11,14-2)15-3)5-4-6-16-7-10-8-17-10/h10H,4-9H2,1-3H3.
What are the key properties of 2,2,3-trimethoxy-3-[3-(oxiran-2-ylmethoxy)propyl]oxetane?
2,2,3-trimethoxy-3-[3-(oxiran-2-ylmethoxy)propyl]oxetane has a molecular weight of 262.30 g/mol, XLogP of 0.54, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3-trimethoxy-3-[3-(oxiran-2-ylmethoxy)propyl]oxetane is sourced from PubChem (CID 151905647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).