2-(4-trityloxybutoxymethyl)oxirane

C26H28O3 — CID 19992449

IUPAC2-(4-trityloxybutoxymethyl)oxirane
SMILESc1ccc(C(OCCCCOCC2CO2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C26H28O3/c1-4-12-22(13-5-1)26(23-14-6-2-7-15-23,24-16-8-3-9-17-24)29-19-11-10-18-27-20-25-21-28-25/h1-9,12-17,25H,10-11,18-21H2
InChIKeyOEKPILGUAVEHDY-UHFFFAOYSA-N
MW388.51 g/mol
LogP5.19
Rot. Bonds11

About 2-(4-trityloxybutoxymethyl)oxirane

2-(4-trityloxybutoxymethyl)oxirane (PubChem CID 19992449) has the molecular formula C26H28O3 and a molecular weight of 388.51 g/mol. Its IUPAC name is 2-(4-trityloxybutoxymethyl)oxirane.

Molecular Properties

Compound Name2-(4-trityloxybutoxymethyl)oxirane
PubChem CID19992449
Molecular FormulaC26H28O3
Molecular Weight388.51 g/mol
Exact Mass388.20
IUPAC Name2-(4-trityloxybutoxymethyl)oxirane
SMILESc1ccc(C(OCCCCOCC2CO2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C26H28O3/c1-4-12-22(13-5-1)26(23-14-6-2-7-15-23,24-16-8-3-9-17-24)29-19-11-10-18-27-20-25-21-28-25/h1-9,12-17,25H,10-11,18-21H2
InChIKeyOEKPILGUAVEHDY-UHFFFAOYSA-N
XLogP5.19
TPSA30.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.51
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-[2-(2-trityloxyethoxy)ethoxymethyl]oxirane
CID 58690199
2-[3-[4-[[4-[3-(oxiran-2-ylmethoxy)propoxy]phenyl]-diphenylmethyl]phenoxy]propoxymethyl]oxirane
CID 135321964
2-(3-trityloxypropoxy)oxane
CID 101461782
2-[18-(oxiran-2-ylmethoxy)octadecoxymethyl]oxirane
CID 172718038
2-[4-[4-[4-[4-[4-[4-[4-[4-[4-(oxiran-2-ylmethoxy)butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxymethyl]oxirane
CID 130476685
2-[4-[4-[4-(oxiran-2-ylmethoxy)butoxy]butoxy]butoxymethyl]oxirane
CID 130476668
(2S)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]oxirane
CID 71608137
2-[6-(4-phenylphenoxy)hexoxymethyl]oxirane
CID 100977910
[diphenyl(4-prop-2-enoxybutoxy)methyl]benzene
CID 11462923
2-[12-(2-phenylphenoxy)dodecoxymethyl]oxirane
CID 175143054
2-[2-(2-phenoxyethoxy)ethoxymethyl]oxirane
CID 59687579

Frequently Asked Questions

What is the IUPAC name of 2-(4-trityloxybutoxymethyl)oxirane?
The IUPAC name of 2-(4-trityloxybutoxymethyl)oxirane (CID 19992449) is 2-(4-trityloxybutoxymethyl)oxirane.
What is the SMILES notation for 2-(4-trityloxybutoxymethyl)oxirane?
The canonical SMILES for 2-(4-trityloxybutoxymethyl)oxirane is c1ccc(C(OCCCCOCC2CO2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 2-(4-trityloxybutoxymethyl)oxirane?
The InChIKey is OEKPILGUAVEHDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28O3/c1-4-12-22(13-5-1)26(23-14-6-2-7-15-23,24-16-8-3-9-17-24)29-19-11-10-18-27-20-25-21-28-25/h1-9,12-17,25H,10-11,18-21H2.
What are the key properties of 2-(4-trityloxybutoxymethyl)oxirane?
2-(4-trityloxybutoxymethyl)oxirane has a molecular weight of 388.51 g/mol, XLogP of 5.19, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-trityloxybutoxymethyl)oxirane is sourced from PubChem (CID 19992449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).