(2S,3R,5S,6R)-2-methoxy-6-methyl-3,5-bis(phenylmethoxy)oxane

C21H26O4 — CID 14133730

IUPAC(2S,3R,5S,6R)-2-methoxy-6-methyl-3,5-bis(phenylmethoxy)oxane
SMILESCO[C@H]1O[C@H](C)[C@@H](OCc2ccccc2)C[C@H]1OCc1ccccc1
InChIInChI=1S/C21H26O4/c1-16-19(23-14-17-9-5-3-6-10-17)13-20(21(22-2)25-16)24-15-18-11-7-4-8-12-18/h3-12,16,19-21H,13-15H2,1-2H3/t16-,19+,20-,21+/m1/s1
InChIKeyUDGKTWDCBPDWIK-RCOXNQKVSA-N
MW342.44 g/mol
LogP3.94
Rot. Bonds7

About (2S,3R,5S,6R)-2-methoxy-6-methyl-3,5-bis(phenylmethoxy)oxane

(2S,3R,5S,6R)-2-methoxy-6-methyl-3,5-bis(phenylmethoxy)oxane (PubChem CID 14133730) has the molecular formula C21H26O4 and a molecular weight of 342.44 g/mol. Its IUPAC name is (2S,3R,5S,6R)-2-methoxy-6-methyl-3,5-bis(phenylmethoxy)oxane.

Molecular Properties

Compound Name(2S,3R,5S,6R)-2-methoxy-6-methyl-3,5-bis(phenylmethoxy)oxane
PubChem CID14133730
Molecular FormulaC21H26O4
Molecular Weight342.44 g/mol
Exact Mass342.18
IUPAC Name(2S,3R,5S,6R)-2-methoxy-6-methyl-3,5-bis(phenylmethoxy)oxane
SMILESCO[C@H]1O[C@H](C)[C@@H](OCc2ccccc2)C[C@H]1OCc1ccccc1
InChIInChI=1S/C21H26O4/c1-16-19(23-14-17-9-5-3-6-10-17)13-20(21(22-2)25-16)24-15-18-11-7-4-8-12-18/h3-12,16,19-21H,13-15H2,1-2H3/t16-,19+,20-,21+/m1/s1
InChIKeyUDGKTWDCBPDWIK-RCOXNQKVSA-N
XLogP3.94
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2S,3R,5S,6R)-2-methoxy-6-methyl-3,5-bis(phenylmethoxy)oxane with MolForge

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Related Compounds

(2S,3S,5S,6R)-5-fluoro-2-methoxy-6-methyl-3-phenylmethoxyoxane
CID 15000119
(2S,3S,5R,6S)-2-(iodomethyl)-6-methoxy-3,5-bis(phenylmethoxy)oxane
CID 10917646
[(3R,5R,6R)-6-methyl-3,5-bis(phenylmethoxy)oxan-2-yl] acetate
CID 11132398
(2S,3R,5S,6R)-5-azido-2-methoxy-6-methyl-3-phenylmethoxyoxane
CID 101123036
[(1R,2R)-2-methoxycyclopropyl]oxymethylbenzene
CID 163224715
(2S,3R,4S,5S,6S)-2-methoxy-3,6-dimethyl-4,5-bis(phenylmethoxy)oxane
CID 101084326
(2R,3R,4R,5S,6S)-2,4,5-trimethoxy-6-methyl-3-phenylmethoxyoxane
CID 11500331
(1R,2S,4R,5R,7S)-4-methoxy-7-methyl-2-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octane
CID 170851120
2-hex-5-en-2-yloxy-6-methyl-3,5-bis(phenylmethoxy)oxane
CID 123739444
(1R)-1-[(2S,3R,5S)-3,6-dimethoxy-5-phenylmethoxyoxan-2-yl]prop-2-en-1-ol
CID 170851181
(2R,3R,4S,5R,6S)-2-methoxy-6-methyl-5-phenylmethoxyoxane-3,4-diol
CID 1284354
(2S,3R,4S,5S,6S)-2-methoxy-6-methyl-4,5-bis(phenylmethoxy)oxan-3-ol
CID 10808327

Frequently Asked Questions

What is the IUPAC name of (2S,3R,5S,6R)-2-methoxy-6-methyl-3,5-bis(phenylmethoxy)oxane?
The IUPAC name of (2S,3R,5S,6R)-2-methoxy-6-methyl-3,5-bis(phenylmethoxy)oxane (CID 14133730) is (2S,3R,5S,6R)-2-methoxy-6-methyl-3,5-bis(phenylmethoxy)oxane.
What is the SMILES notation for (2S,3R,5S,6R)-2-methoxy-6-methyl-3,5-bis(phenylmethoxy)oxane?
The canonical SMILES for (2S,3R,5S,6R)-2-methoxy-6-methyl-3,5-bis(phenylmethoxy)oxane is CO[C@H]1O[C@H](C)[C@@H](OCc2ccccc2)C[C@H]1OCc1ccccc1.
What is the InChIKey of (2S,3R,5S,6R)-2-methoxy-6-methyl-3,5-bis(phenylmethoxy)oxane?
The InChIKey is UDGKTWDCBPDWIK-RCOXNQKVSA-N. The full InChI is InChI=1S/C21H26O4/c1-16-19(23-14-17-9-5-3-6-10-17)13-20(21(22-2)25-16)24-15-18-11-7-4-8-12-18/h3-12,16,19-21H,13-15H2,1-2H3/t16-,19+,20-,21+/m1/s1.
What are the key properties of (2S,3R,5S,6R)-2-methoxy-6-methyl-3,5-bis(phenylmethoxy)oxane?
(2S,3R,5S,6R)-2-methoxy-6-methyl-3,5-bis(phenylmethoxy)oxane has a molecular weight of 342.44 g/mol, XLogP of 3.94, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,5S,6R)-2-methoxy-6-methyl-3,5-bis(phenylmethoxy)oxane is sourced from PubChem (CID 14133730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).