[(2R,3R)-3-[5-(2-methoxyethoxymethoxy)pent-3-ynyl]oxiran-2-yl]methanol

C12H20O5 — CID 11806862

IUPAC[(2R,3R)-3-[5-(2-methoxyethoxymethoxy)pent-3-ynyl]oxiran-2-yl]methanol
SMILESCOCCOCOCC#CCC[C@H]1O[C@@H]1CO
InChIInChI=1S/C12H20O5/c1-14-7-8-16-10-15-6-4-2-3-5-11-12(9-13)17-11/h11-13H,3,5-10H2,1H3/t11-,12-/m1/s1
InChIKeyJFYKMTGQGIDROL-VXGBXAGGSA-N
MW244.29 g/mol
LogP0.17
Rot. Bonds9

About [(2R,3R)-3-[5-(2-methoxyethoxymethoxy)pent-3-ynyl]oxiran-2-yl]methanol

[(2R,3R)-3-[5-(2-methoxyethoxymethoxy)pent-3-ynyl]oxiran-2-yl]methanol (PubChem CID 11806862) has the molecular formula C12H20O5 and a molecular weight of 244.29 g/mol. Its IUPAC name is [(2R,3R)-3-[5-(2-methoxyethoxymethoxy)pent-3-ynyl]oxiran-2-yl]methanol.

Molecular Properties

Compound Name[(2R,3R)-3-[5-(2-methoxyethoxymethoxy)pent-3-ynyl]oxiran-2-yl]methanol
PubChem CID11806862
Molecular FormulaC12H20O5
Molecular Weight244.29 g/mol
Exact Mass244.13
IUPAC Name[(2R,3R)-3-[5-(2-methoxyethoxymethoxy)pent-3-ynyl]oxiran-2-yl]methanol
SMILESCOCCOCOCC#CCC[C@H]1O[C@@H]1CO
InChIInChI=1S/C12H20O5/c1-14-7-8-16-10-15-6-4-2-3-5-11-12(9-13)17-11/h11-13H,3,5-10H2,1H3/t11-,12-/m1/s1
InChIKeyJFYKMTGQGIDROL-VXGBXAGGSA-N
XLogP0.17
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze [(2R,3R)-3-[5-(2-methoxyethoxymethoxy)pent-3-ynyl]oxiran-2-yl]methanol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(2R,3R)-3-[5-(2-methoxyethoxymethoxy)pent-3-ynyl]oxiran-2-yl]methanol?
The IUPAC name of [(2R,3R)-3-[5-(2-methoxyethoxymethoxy)pent-3-ynyl]oxiran-2-yl]methanol (CID 11806862) is [(2R,3R)-3-[5-(2-methoxyethoxymethoxy)pent-3-ynyl]oxiran-2-yl]methanol.
What is the SMILES notation for [(2R,3R)-3-[5-(2-methoxyethoxymethoxy)pent-3-ynyl]oxiran-2-yl]methanol?
The canonical SMILES for [(2R,3R)-3-[5-(2-methoxyethoxymethoxy)pent-3-ynyl]oxiran-2-yl]methanol is COCCOCOCC#CCC[C@H]1O[C@@H]1CO.
What is the InChIKey of [(2R,3R)-3-[5-(2-methoxyethoxymethoxy)pent-3-ynyl]oxiran-2-yl]methanol?
The InChIKey is JFYKMTGQGIDROL-VXGBXAGGSA-N. The full InChI is InChI=1S/C12H20O5/c1-14-7-8-16-10-15-6-4-2-3-5-11-12(9-13)17-11/h11-13H,3,5-10H2,1H3/t11-,12-/m1/s1.
What are the key properties of [(2R,3R)-3-[5-(2-methoxyethoxymethoxy)pent-3-ynyl]oxiran-2-yl]methanol?
[(2R,3R)-3-[5-(2-methoxyethoxymethoxy)pent-3-ynyl]oxiran-2-yl]methanol has a molecular weight of 244.29 g/mol, XLogP of 0.17, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R)-3-[5-(2-methoxyethoxymethoxy)pent-3-ynyl]oxiran-2-yl]methanol is sourced from PubChem (CID 11806862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).