2-methyl-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane

C35H38O5 — CID 3855330

IUPAC2-methyl-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
SMILESCC1OC(COCc2ccccc2)C(OCc2ccccc2)C(OCc2ccccc2)C1OCc1ccccc1
InChIInChI=1S/C35H38O5/c1-27-33(37-23-29-16-8-3-9-17-29)35(39-25-31-20-12-5-13-21-31)34(38-24-30-18-10-4-11-19-30)32(40-27)26-36-22-28-14-6-2-7-15-28/h2-21,27,32-35H,22-26H2,1H3
InChIKeyWIWPUDCFWHDUNF-UHFFFAOYSA-N
MW538.68 g/mol
LogP6.75
Rot. Bonds13

About 2-methyl-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane

2-methyl-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane (PubChem CID 3855330) has the molecular formula C35H38O5 and a molecular weight of 538.68 g/mol. Its IUPAC name is 2-methyl-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane.

Molecular Properties

Compound Name2-methyl-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
PubChem CID3855330
Molecular FormulaC35H38O5
Molecular Weight538.68 g/mol
Exact Mass538.27
IUPAC Name2-methyl-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
SMILESCC1OC(COCc2ccccc2)C(OCc2ccccc2)C(OCc2ccccc2)C1OCc1ccccc1
InChIInChI=1S/C35H38O5/c1-27-33(37-23-29-16-8-3-9-17-29)35(39-25-31-20-12-5-13-21-31)34(38-24-30-18-10-4-11-19-30)32(40-27)26-36-22-28-14-6-2-7-15-28/h2-21,27,32-35H,22-26H2,1H3
InChIKeyWIWPUDCFWHDUNF-UHFFFAOYSA-N
XLogP6.75
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.68
LogP ≤ 56.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-methyl-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane?
The IUPAC name of 2-methyl-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane (CID 3855330) is 2-methyl-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane.
What is the SMILES notation for 2-methyl-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane?
The canonical SMILES for 2-methyl-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane is CC1OC(COCc2ccccc2)C(OCc2ccccc2)C(OCc2ccccc2)C1OCc1ccccc1.
What is the InChIKey of 2-methyl-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane?
The InChIKey is WIWPUDCFWHDUNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H38O5/c1-27-33(37-23-29-16-8-3-9-17-29)35(39-25-31-20-12-5-13-21-31)34(38-24-30-18-10-4-11-19-30)32(40-27)26-36-22-28-14-6-2-7-15-28/h2-21,27,32-35H,22-26H2,1H3.
What are the key properties of 2-methyl-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane?
2-methyl-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane has a molecular weight of 538.68 g/mol, XLogP of 6.75, 13 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane is sourced from PubChem (CID 3855330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).