(2R,3R)-2-(iodomethyl)-2-methyl-3-(trityloxymethyl)oxirane

C24H23IO2 — CID 102467326

IUPAC(2R,3R)-2-(iodomethyl)-2-methyl-3-(trityloxymethyl)oxirane
SMILESC[C@@]1(CI)O[C@@H]1COC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H23IO2/c1-23(18-25)22(27-23)17-26-24(19-11-5-2-6-12-19,20-13-7-3-8-14-20)21-15-9-4-10-16-21/h2-16,22H,17-18H2,1H3/t22-,23+/m1/s1
InChIKeyZLGQXKZDWHLNNB-PKTZIBPZSA-N
MW470.35 g/mol
LogP5.59
Rot. Bonds7

About (2R,3R)-2-(iodomethyl)-2-methyl-3-(trityloxymethyl)oxirane

(2R,3R)-2-(iodomethyl)-2-methyl-3-(trityloxymethyl)oxirane (PubChem CID 102467326) has the molecular formula C24H23IO2 and a molecular weight of 470.35 g/mol. Its IUPAC name is (2R,3R)-2-(iodomethyl)-2-methyl-3-(trityloxymethyl)oxirane.

Molecular Properties

Compound Name(2R,3R)-2-(iodomethyl)-2-methyl-3-(trityloxymethyl)oxirane
PubChem CID102467326
Molecular FormulaC24H23IO2
Molecular Weight470.35 g/mol
Exact Mass470.07
IUPAC Name(2R,3R)-2-(iodomethyl)-2-methyl-3-(trityloxymethyl)oxirane
SMILESC[C@@]1(CI)O[C@@H]1COC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H23IO2/c1-23(18-25)22(27-23)17-26-24(19-11-5-2-6-12-19,20-13-7-3-8-14-20)21-15-9-4-10-16-21/h2-16,22H,17-18H2,1H3/t22-,23+/m1/s1
InChIKeyZLGQXKZDWHLNNB-PKTZIBPZSA-N
XLogP5.59
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.35
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze (2R,3R)-2-(iodomethyl)-2-methyl-3-(trityloxymethyl)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

(3aS,4S,6aR)-2,2-dimethyl-4-(trityloxymethyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole
CID 11292903
2-[(4R,6S)-2,2-dimethyl-6-(trityloxymethyl)-1,3-dioxan-4-yl]acetic acid
CID 18716197
(3aS,4R,6aR)-2,2-dimethyl-4-(trityloxymethyl)-4,5,6,6a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyrrole
CID 14802943
(3aR,5R,6S,6aR)-6-ethoxy-2,2-dimethyl-5-(trityloxymethyl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole
CID 25178586
(3aR,5R,6R)-2,2-dimethyl-5-(trityloxymethyl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol
CID 155766260
(2R)-2-methyl-2-(trityloxymethyl)oxirane
CID 167477825
4-(trityloxymethyl)trioxolane
CID 19758940
(3aR,5R,6R,6aR)-2,2-dimethyl-6-prop-2-enoxy-5-(trityloxymethyl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole
CID 11016185
[(3aR,5R,6S,6aR)-2,2-dimethyl-5-(trityloxymethyl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] acetate
CID 102013121
[(Z)-2-[[(3aR,5R,6S,6aR)-2,2-dimethyl-5-(trityloxymethyl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy]ethenyl]-dimethyl-phenylsilane
CID 100924495
(3'S,3aR,5S,6R,6aR)-2,2,3'-trimethyl-5-(trityloxymethyl)spiro[5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-6,5'-piperazine]-2'-one
CID 12041155
(3aR,5S,6R,6aR)-2,2-dimethyl-5-(trityloxymethyl)spiro[5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-6,5'-piperazine]-2'-one
CID 101173104

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-(iodomethyl)-2-methyl-3-(trityloxymethyl)oxirane?
The IUPAC name of (2R,3R)-2-(iodomethyl)-2-methyl-3-(trityloxymethyl)oxirane (CID 102467326) is (2R,3R)-2-(iodomethyl)-2-methyl-3-(trityloxymethyl)oxirane.
What is the SMILES notation for (2R,3R)-2-(iodomethyl)-2-methyl-3-(trityloxymethyl)oxirane?
The canonical SMILES for (2R,3R)-2-(iodomethyl)-2-methyl-3-(trityloxymethyl)oxirane is C[C@@]1(CI)O[C@@H]1COC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2R,3R)-2-(iodomethyl)-2-methyl-3-(trityloxymethyl)oxirane?
The InChIKey is ZLGQXKZDWHLNNB-PKTZIBPZSA-N. The full InChI is InChI=1S/C24H23IO2/c1-23(18-25)22(27-23)17-26-24(19-11-5-2-6-12-19,20-13-7-3-8-14-20)21-15-9-4-10-16-21/h2-16,22H,17-18H2,1H3/t22-,23+/m1/s1.
What are the key properties of (2R,3R)-2-(iodomethyl)-2-methyl-3-(trityloxymethyl)oxirane?
(2R,3R)-2-(iodomethyl)-2-methyl-3-(trityloxymethyl)oxirane has a molecular weight of 470.35 g/mol, XLogP of 5.59, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-(iodomethyl)-2-methyl-3-(trityloxymethyl)oxirane is sourced from PubChem (CID 102467326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).