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

C28H32O4 — CID 166975544

IUPAC5-methyl-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxane
SMILESCC1COC(COCc2ccccc2)C(OCc2ccccc2)C1OCc1ccccc1
InChIInChI=1S/C28H32O4/c1-22-17-30-26(21-29-18-23-11-5-2-6-12-23)28(32-20-25-15-9-4-10-16-25)27(22)31-19-24-13-7-3-8-14-24/h2-16,22,26-28H,17-21H2,1H3
InChIKeyYJYMVRQOLWXCRK-UHFFFAOYSA-N
MW432.56 g/mol
LogP5.41
Rot. Bonds10

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

5-methyl-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxane (PubChem CID 166975544) has the molecular formula C28H32O4 and a molecular weight of 432.56 g/mol. Its IUPAC name is 5-methyl-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxane.

Molecular Properties

Compound Name5-methyl-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxane
PubChem CID166975544
Molecular FormulaC28H32O4
Molecular Weight432.56 g/mol
Exact Mass432.23
IUPAC Name5-methyl-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxane
SMILESCC1COC(COCc2ccccc2)C(OCc2ccccc2)C1OCc1ccccc1
InChIInChI=1S/C28H32O4/c1-22-17-30-26(21-29-18-23-11-5-2-6-12-23)28(32-20-25-15-9-4-10-16-25)27(22)31-19-24-13-7-3-8-14-24/h2-16,22,26-28H,17-21H2,1H3
InChIKeyYJYMVRQOLWXCRK-UHFFFAOYSA-N
XLogP5.41
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.56
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3R,4S)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxolane
CID 122363520
(3S,4S)-3-methoxy-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxane
CID 135017778
(2R,3R,4R,5R)-3,4-bis(phenylmethoxy)-2,5-bis(phenylmethoxymethyl)oxolane
CID 14020682
[(2S,3R,4S,5S)-4-methoxy-5-methyl-3-phenylmethoxyoxan-2-yl]methanol
CID 67672097
[(3R,4R,5R,6S)-5-methyl-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-3-yl]methanamine
CID 170420233
N-[(3S,4R,5R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]acetamide
CID 163997809
(3S,4R,5R)-2,3,5-trimethyl-4-phenylmethoxyoxane
CID 158772730
(2R,3S,4S)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxane
CID 16688925
benzene;3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxane
CID 171558653
2,4,5-trimethyl-3-phenylmethoxy-6-(phenylmethoxymethyl)oxane
CID 71099139
(2R,3R,4R)-5-(2-phenylethynyl)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxane
CID 170424383
[(3S,4R,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]carbamic acid
CID 166681867

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxane?
The IUPAC name of 5-methyl-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxane (CID 166975544) is 5-methyl-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxane.
What is the SMILES notation for 5-methyl-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxane?
The canonical SMILES for 5-methyl-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxane is CC1COC(COCc2ccccc2)C(OCc2ccccc2)C1OCc1ccccc1.
What is the InChIKey of 5-methyl-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxane?
The InChIKey is YJYMVRQOLWXCRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32O4/c1-22-17-30-26(21-29-18-23-11-5-2-6-12-23)28(32-20-25-15-9-4-10-16-25)27(22)31-19-24-13-7-3-8-14-24/h2-16,22,26-28H,17-21H2,1H3.
What are the key properties of 5-methyl-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxane?
5-methyl-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxane has a molecular weight of 432.56 g/mol, XLogP of 5.41, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxane is sourced from PubChem (CID 166975544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).