ethyl (2S)-2-trityloxypropanoate

C24H24O3 — CID 14462300

IUPACethyl (2S)-2-trityloxypropanoate
SMILESCCOC(=O)[C@H](C)OC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H24O3/c1-3-26-23(25)19(2)27-24(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22/h4-19H,3H2,1-2H3/t19-/m0/s1
InChIKeyCPQCYRMHGOMCPW-IBGZPJMESA-N
MW360.45 g/mol
LogP4.95
Rot. Bonds7

About ethyl (2S)-2-trityloxypropanoate

ethyl (2S)-2-trityloxypropanoate (PubChem CID 14462300) has the molecular formula C24H24O3 and a molecular weight of 360.45 g/mol. Its IUPAC name is ethyl (2S)-2-trityloxypropanoate.

Molecular Properties

Compound Nameethyl (2S)-2-trityloxypropanoate
PubChem CID14462300
Molecular FormulaC24H24O3
Molecular Weight360.45 g/mol
Exact Mass360.17
IUPAC Nameethyl (2S)-2-trityloxypropanoate
SMILESCCOC(=O)[C@H](C)OC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H24O3/c1-3-26-23(25)19(2)27-24(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22/h4-19H,3H2,1-2H3/t19-/m0/s1
InChIKeyCPQCYRMHGOMCPW-IBGZPJMESA-N
XLogP4.95
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.45
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-2-trityloxypropanoate?
The IUPAC name of ethyl (2S)-2-trityloxypropanoate (CID 14462300) is ethyl (2S)-2-trityloxypropanoate.
What is the SMILES notation for ethyl (2S)-2-trityloxypropanoate?
The canonical SMILES for ethyl (2S)-2-trityloxypropanoate is CCOC(=O)[C@H](C)OC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of ethyl (2S)-2-trityloxypropanoate?
The InChIKey is CPQCYRMHGOMCPW-IBGZPJMESA-N. The full InChI is InChI=1S/C24H24O3/c1-3-26-23(25)19(2)27-24(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22/h4-19H,3H2,1-2H3/t19-/m0/s1.
What are the key properties of ethyl (2S)-2-trityloxypropanoate?
ethyl (2S)-2-trityloxypropanoate has a molecular weight of 360.45 g/mol, XLogP of 4.95, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-2-trityloxypropanoate is sourced from PubChem (CID 14462300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).