2-ethyl-6-methoxy-3,4,5-tris(phenylmethoxy)oxane

C29H34O5 — CID 23541139

IUPAC2-ethyl-6-methoxy-3,4,5-tris(phenylmethoxy)oxane
SMILESCCC1OC(OC)C(OCc2ccccc2)C(OCc2ccccc2)C1OCc1ccccc1
InChIInChI=1S/C29H34O5/c1-3-25-26(31-19-22-13-7-4-8-14-22)27(32-20-23-15-9-5-10-16-23)28(29(30-2)34-25)33-21-24-17-11-6-12-18-24/h4-18,25-29H,3,19-21H2,1-2H3
InChIKeyJZDXCHCIXIQIHC-UHFFFAOYSA-N
MW462.59 g/mol
LogP5.52
Rot. Bonds11

About 2-ethyl-6-methoxy-3,4,5-tris(phenylmethoxy)oxane

2-ethyl-6-methoxy-3,4,5-tris(phenylmethoxy)oxane (PubChem CID 23541139) has the molecular formula C29H34O5 and a molecular weight of 462.59 g/mol. Its IUPAC name is 2-ethyl-6-methoxy-3,4,5-tris(phenylmethoxy)oxane.

Molecular Properties

Compound Name2-ethyl-6-methoxy-3,4,5-tris(phenylmethoxy)oxane
PubChem CID23541139
Molecular FormulaC29H34O5
Molecular Weight462.59 g/mol
Exact Mass462.24
IUPAC Name2-ethyl-6-methoxy-3,4,5-tris(phenylmethoxy)oxane
SMILESCCC1OC(OC)C(OCc2ccccc2)C(OCc2ccccc2)C1OCc1ccccc1
InChIInChI=1S/C29H34O5/c1-3-25-26(31-19-22-13-7-4-8-14-22)27(32-20-23-15-9-5-10-16-23)28(29(30-2)34-25)33-21-24-17-11-6-12-18-24/h4-18,25-29H,3,19-21H2,1-2H3
InChIKeyJZDXCHCIXIQIHC-UHFFFAOYSA-N
XLogP5.52
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.59
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-methoxy-3,4,5-tris(phenylmethoxy)oxane?
The IUPAC name of 2-ethyl-6-methoxy-3,4,5-tris(phenylmethoxy)oxane (CID 23541139) is 2-ethyl-6-methoxy-3,4,5-tris(phenylmethoxy)oxane.
What is the SMILES notation for 2-ethyl-6-methoxy-3,4,5-tris(phenylmethoxy)oxane?
The canonical SMILES for 2-ethyl-6-methoxy-3,4,5-tris(phenylmethoxy)oxane is CCC1OC(OC)C(OCc2ccccc2)C(OCc2ccccc2)C1OCc1ccccc1.
What is the InChIKey of 2-ethyl-6-methoxy-3,4,5-tris(phenylmethoxy)oxane?
The InChIKey is JZDXCHCIXIQIHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34O5/c1-3-25-26(31-19-22-13-7-4-8-14-22)27(32-20-23-15-9-5-10-16-23)28(29(30-2)34-25)33-21-24-17-11-6-12-18-24/h4-18,25-29H,3,19-21H2,1-2H3.
What are the key properties of 2-ethyl-6-methoxy-3,4,5-tris(phenylmethoxy)oxane?
2-ethyl-6-methoxy-3,4,5-tris(phenylmethoxy)oxane has a molecular weight of 462.59 g/mol, XLogP of 5.52, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-methoxy-3,4,5-tris(phenylmethoxy)oxane is sourced from PubChem (CID 23541139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).