2-[2-(2-trityloxyethoxy)ethoxymethyl]oxirane

C26H28O4 — CID 58690199

IUPAC2-[2-(2-trityloxyethoxy)ethoxymethyl]oxirane
SMILESc1ccc(C(OCCOCCOCC2CO2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C26H28O4/c1-4-10-22(11-5-1)26(23-12-6-2-7-13-23,24-14-8-3-9-15-24)30-19-18-27-16-17-28-20-25-21-29-25/h1-15,25H,16-21H2
InChIKeyNZGMENLOKSCYBJ-UHFFFAOYSA-N
MW404.51 g/mol
LogP4.43
Rot. Bonds12

About 2-[2-(2-trityloxyethoxy)ethoxymethyl]oxirane

2-[2-(2-trityloxyethoxy)ethoxymethyl]oxirane (PubChem CID 58690199) has the molecular formula C26H28O4 and a molecular weight of 404.51 g/mol. Its IUPAC name is 2-[2-(2-trityloxyethoxy)ethoxymethyl]oxirane.

Molecular Properties

Compound Name2-[2-(2-trityloxyethoxy)ethoxymethyl]oxirane
PubChem CID58690199
Molecular FormulaC26H28O4
Molecular Weight404.51 g/mol
Exact Mass404.20
IUPAC Name2-[2-(2-trityloxyethoxy)ethoxymethyl]oxirane
SMILESc1ccc(C(OCCOCCOCC2CO2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C26H28O4/c1-4-10-22(11-5-1)26(23-12-6-2-7-13-23,24-14-8-3-9-15-24)30-19-18-27-16-17-28-20-25-21-29-25/h1-15,25H,16-21H2
InChIKeyNZGMENLOKSCYBJ-UHFFFAOYSA-N
XLogP4.43
TPSA40.22 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-(2-trityloxyethoxymethyl)oxirane
CID 150655953
2-(4-trityloxybutoxymethyl)oxirane
CID 19992449
2-[2-(2-phenoxyethoxy)ethoxymethyl]oxirane
CID 59687579
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(oxiran-2-ylmethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]oxirane
CID 58765936
(2S)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]oxirane
CID 71608137
2-[3-[4-[[4-[3-(oxiran-2-ylmethoxy)propoxy]phenyl]-diphenylmethyl]phenoxy]propoxymethyl]oxirane
CID 135321964
bromobenzene;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 88618664
[diphenyl(2-phenylmethoxyethoxy)methyl]benzene
CID 99938038
2-(oxiran-2-ylmethoxy)ethyl benzoate
CID 13013250
2-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(oxiran-2-ylmethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxymethyl]oxirane
CID 91036446
2-(oxiran-2-ylmethoxymethyl)oxirane;phenylphosphane
CID 162075720
aniline;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 158083266

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-trityloxyethoxy)ethoxymethyl]oxirane?
The IUPAC name of 2-[2-(2-trityloxyethoxy)ethoxymethyl]oxirane (CID 58690199) is 2-[2-(2-trityloxyethoxy)ethoxymethyl]oxirane.
What is the SMILES notation for 2-[2-(2-trityloxyethoxy)ethoxymethyl]oxirane?
The canonical SMILES for 2-[2-(2-trityloxyethoxy)ethoxymethyl]oxirane is c1ccc(C(OCCOCCOCC2CO2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 2-[2-(2-trityloxyethoxy)ethoxymethyl]oxirane?
The InChIKey is NZGMENLOKSCYBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28O4/c1-4-10-22(11-5-1)26(23-12-6-2-7-13-23,24-14-8-3-9-15-24)30-19-18-27-16-17-28-20-25-21-29-25/h1-15,25H,16-21H2.
What are the key properties of 2-[2-(2-trityloxyethoxy)ethoxymethyl]oxirane?
2-[2-(2-trityloxyethoxy)ethoxymethyl]oxirane has a molecular weight of 404.51 g/mol, XLogP of 4.43, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-trityloxyethoxy)ethoxymethyl]oxirane is sourced from PubChem (CID 58690199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).