methyl (2R)-2-(methoxymethyl)-2-methyl-3-trityloxypropanoate

C26H28O4 — CID 124849278

IUPACmethyl (2R)-2-(methoxymethyl)-2-methyl-3-trityloxypropanoate
SMILESCOC[C@](C)(COC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)OC
InChIInChI=1S/C26H28O4/c1-25(19-28-2,24(27)29-3)20-30-26(21-13-7-4-8-14-21,22-15-9-5-10-16-22)23-17-11-6-12-18-23/h4-18H,19-20H2,1-3H3/t25-/m1/s1
InChIKeyOJIMFNHWDJRYRX-RUZDIDTESA-N
MW404.51 g/mol
LogP4.82
Rot. Bonds9

About methyl (2R)-2-(methoxymethyl)-2-methyl-3-trityloxypropanoate

methyl (2R)-2-(methoxymethyl)-2-methyl-3-trityloxypropanoate (PubChem CID 124849278) has the molecular formula C26H28O4 and a molecular weight of 404.51 g/mol. Its IUPAC name is methyl (2R)-2-(methoxymethyl)-2-methyl-3-trityloxypropanoate.

Molecular Properties

Compound Namemethyl (2R)-2-(methoxymethyl)-2-methyl-3-trityloxypropanoate
PubChem CID124849278
Molecular FormulaC26H28O4
Molecular Weight404.51 g/mol
Exact Mass404.20
IUPAC Namemethyl (2R)-2-(methoxymethyl)-2-methyl-3-trityloxypropanoate
SMILESCOC[C@](C)(COC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)OC
InChIInChI=1S/C26H28O4/c1-25(19-28-2,24(27)29-3)20-30-26(21-13-7-4-8-14-21,22-15-9-5-10-16-22)23-17-11-6-12-18-23/h4-18H,19-20H2,1-3H3/t25-/m1/s1
InChIKeyOJIMFNHWDJRYRX-RUZDIDTESA-N
XLogP4.82
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

methyl (2S)-2-(hydroxymethyl)-2-methyl-3-trityloxypropanoate
CID 124849930
propan-2-yl 2,2-dimethyl-3-trityloxypropanoate
CID 135147480
methyl 2-methyl-2-phenylbutanoate
CID 562613
(2-methyl-2-phenylpropyl) hydrogen carbonate
CID 150979314
CID 91481469
CID 91481469
methyl (2S)-2-hydroxy-3-trityloxypropanoate
CID 11760225
methyl 2,2-dibromo-2-phenylacetate
CID 59974916
methyl (2R)-2-amino-2-phenylpropanoate;hydrochloride
CID 141027321
methyl 3-methoxy-2-phenyl-2-(2,2,2-trifluoroethylamino)propanoate
CID 103464928
3-methoxy-2-phenyl-2-pyrimidin-2-ylpropanoic acid
CID 121398970
methyl 2-[2-(2-methoxyacetyl)hydrazinyl]-2,2-diphenylacetate
CID 20696173
methyl 2-(2-methoxyethylamino)-2-phenylpropanoate
CID 62541706

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-(methoxymethyl)-2-methyl-3-trityloxypropanoate?
The IUPAC name of methyl (2R)-2-(methoxymethyl)-2-methyl-3-trityloxypropanoate (CID 124849278) is methyl (2R)-2-(methoxymethyl)-2-methyl-3-trityloxypropanoate.
What is the SMILES notation for methyl (2R)-2-(methoxymethyl)-2-methyl-3-trityloxypropanoate?
The canonical SMILES for methyl (2R)-2-(methoxymethyl)-2-methyl-3-trityloxypropanoate is COC[C@](C)(COC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)OC.
What is the InChIKey of methyl (2R)-2-(methoxymethyl)-2-methyl-3-trityloxypropanoate?
The InChIKey is OJIMFNHWDJRYRX-RUZDIDTESA-N. The full InChI is InChI=1S/C26H28O4/c1-25(19-28-2,24(27)29-3)20-30-26(21-13-7-4-8-14-21,22-15-9-5-10-16-22)23-17-11-6-12-18-23/h4-18H,19-20H2,1-3H3/t25-/m1/s1.
What are the key properties of methyl (2R)-2-(methoxymethyl)-2-methyl-3-trityloxypropanoate?
methyl (2R)-2-(methoxymethyl)-2-methyl-3-trityloxypropanoate has a molecular weight of 404.51 g/mol, XLogP of 4.82, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-(methoxymethyl)-2-methyl-3-trityloxypropanoate is sourced from PubChem (CID 124849278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).