3-methoxy-2,2-dimethyl-3-trityloxypropanoic acid

C25H26O4 — CID 141332550

IUPAC3-methoxy-2,2-dimethyl-3-trityloxypropanoic acid
SMILESCOC(OC(c1ccccc1)(c1ccccc1)c1ccccc1)C(C)(C)C(=O)O
InChIInChI=1S/C25H26O4/c1-24(2,22(26)27)23(28-3)29-25(19-13-7-4-8-14-19,20-15-9-5-10-16-20)21-17-11-6-12-18-21/h4-18,23H,1-3H3,(H,26,27)
InChIKeyWLKDXZSRFXZIAZ-UHFFFAOYSA-N
MW390.48 g/mol
LogP5.08
Rot. Bonds8

About 3-methoxy-2,2-dimethyl-3-trityloxypropanoic acid

3-methoxy-2,2-dimethyl-3-trityloxypropanoic acid (PubChem CID 141332550) has the molecular formula C25H26O4 and a molecular weight of 390.48 g/mol. Its IUPAC name is 3-methoxy-2,2-dimethyl-3-trityloxypropanoic acid.

Molecular Properties

Compound Name3-methoxy-2,2-dimethyl-3-trityloxypropanoic acid
PubChem CID141332550
Molecular FormulaC25H26O4
Molecular Weight390.48 g/mol
Exact Mass390.18
IUPAC Name3-methoxy-2,2-dimethyl-3-trityloxypropanoic acid
SMILESCOC(OC(c1ccccc1)(c1ccccc1)c1ccccc1)C(C)(C)C(=O)O
InChIInChI=1S/C25H26O4/c1-24(2,22(26)27)23(28-3)29-25(19-13-7-4-8-14-19,20-15-9-5-10-16-20)21-17-11-6-12-18-21/h4-18,23H,1-3H3,(H,26,27)
InChIKeyWLKDXZSRFXZIAZ-UHFFFAOYSA-N
XLogP5.08
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.48
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2,2-dimethyl-3-trityloxypropanoic acid?
The IUPAC name of 3-methoxy-2,2-dimethyl-3-trityloxypropanoic acid (CID 141332550) is 3-methoxy-2,2-dimethyl-3-trityloxypropanoic acid.
What is the SMILES notation for 3-methoxy-2,2-dimethyl-3-trityloxypropanoic acid?
The canonical SMILES for 3-methoxy-2,2-dimethyl-3-trityloxypropanoic acid is COC(OC(c1ccccc1)(c1ccccc1)c1ccccc1)C(C)(C)C(=O)O.
What is the InChIKey of 3-methoxy-2,2-dimethyl-3-trityloxypropanoic acid?
The InChIKey is WLKDXZSRFXZIAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26O4/c1-24(2,22(26)27)23(28-3)29-25(19-13-7-4-8-14-19,20-15-9-5-10-16-20)21-17-11-6-12-18-21/h4-18,23H,1-3H3,(H,26,27).
What are the key properties of 3-methoxy-2,2-dimethyl-3-trityloxypropanoic acid?
3-methoxy-2,2-dimethyl-3-trityloxypropanoic acid has a molecular weight of 390.48 g/mol, XLogP of 5.08, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2,2-dimethyl-3-trityloxypropanoic acid is sourced from PubChem (CID 141332550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).