[(3R,5R,6R)-6-methyl-3,5-bis(phenylmethoxy)oxan-2-yl] acetate

C22H26O5 — CID 11132398

IUPAC[(3R,5R,6R)-6-methyl-3,5-bis(phenylmethoxy)oxan-2-yl] acetate
SMILESCC(=O)OC1O[C@H](C)[C@H](OCc2ccccc2)C[C@H]1OCc1ccccc1
InChIInChI=1S/C22H26O5/c1-16-20(24-14-18-9-5-3-6-10-18)13-21(22(26-16)27-17(2)23)25-15-19-11-7-4-8-12-19/h3-12,16,20-22H,13-15H2,1-2H3/t16-,20-,21-,22?/m1/s1
InChIKeyAEPLTIPXMYJFQH-XURXJGIDSA-N
MW370.45 g/mol
LogP3.86
Rot. Bonds7

About [(3R,5R,6R)-6-methyl-3,5-bis(phenylmethoxy)oxan-2-yl] acetate

[(3R,5R,6R)-6-methyl-3,5-bis(phenylmethoxy)oxan-2-yl] acetate (PubChem CID 11132398) has the molecular formula C22H26O5 and a molecular weight of 370.45 g/mol. Its IUPAC name is [(3R,5R,6R)-6-methyl-3,5-bis(phenylmethoxy)oxan-2-yl] acetate.

Molecular Properties

Compound Name[(3R,5R,6R)-6-methyl-3,5-bis(phenylmethoxy)oxan-2-yl] acetate
PubChem CID11132398
Molecular FormulaC22H26O5
Molecular Weight370.45 g/mol
Exact Mass370.18
IUPAC Name[(3R,5R,6R)-6-methyl-3,5-bis(phenylmethoxy)oxan-2-yl] acetate
SMILESCC(=O)OC1O[C@H](C)[C@H](OCc2ccccc2)C[C@H]1OCc1ccccc1
InChIInChI=1S/C22H26O5/c1-16-20(24-14-18-9-5-3-6-10-18)13-21(22(26-16)27-17(2)23)25-15-19-11-7-4-8-12-19/h3-12,16,20-22H,13-15H2,1-2H3/t16-,20-,21-,22?/m1/s1
InChIKeyAEPLTIPXMYJFQH-XURXJGIDSA-N
XLogP3.86
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,3R,5S,6R)-2-methoxy-6-methyl-3,5-bis(phenylmethoxy)oxane
CID 14133730
[(3R,5R,6R)-6-methyl-5-phenylmethoxy-2-phenylsulfanyloxan-3-yl] acetate
CID 101018956
[(3R,5S,6R)-6-methyl-5-phenylmethoxy-2-phenylsulfanyloxan-3-yl] acetate
CID 101018955
[(2S,3S,4R,5R,6R)-4,5-diacetyloxy-2-methyl-6-phenylmethoxyoxan-3-yl] acetate
CID 2747755
[(2S,3R,4R,5S,6S)-2-acetyloxy-5-hydroxy-6-methyl-4-phenylmethoxyoxan-3-yl] acetate
CID 91335694
[(2S,3R,4S,6R)-2-methoxy-6-methyl-4-phenylmethoxyoxan-3-yl] acetate
CID 101175724
(2,6-dimethyl-3-phenylmethoxyoxan-4-yl) acetate
CID 59913097
[3,4,5-tris(phenylmethoxy)oxan-2-yl] acetate
CID 73019389
[(3R)-3-phenylmethoxyoxolan-2-yl] acetate
CID 134857022
(2,6-dimethyl-3-phenylmethoxyoxan-4-yl) acetate;methane
CID 158693531
[(2R,3S,4R,5R,6R)-2,6-diacetyloxy-4,5-bis(phenylmethoxy)oxan-3-yl] acetate
CID 11754556
[(2S,3S,5R)-6-hydroxy-2-methyl-5-phenylmethoxyoxan-3-yl] benzoate
CID 57333728

Frequently Asked Questions

What is the IUPAC name of [(3R,5R,6R)-6-methyl-3,5-bis(phenylmethoxy)oxan-2-yl] acetate?
The IUPAC name of [(3R,5R,6R)-6-methyl-3,5-bis(phenylmethoxy)oxan-2-yl] acetate (CID 11132398) is [(3R,5R,6R)-6-methyl-3,5-bis(phenylmethoxy)oxan-2-yl] acetate.
What is the SMILES notation for [(3R,5R,6R)-6-methyl-3,5-bis(phenylmethoxy)oxan-2-yl] acetate?
The canonical SMILES for [(3R,5R,6R)-6-methyl-3,5-bis(phenylmethoxy)oxan-2-yl] acetate is CC(=O)OC1O[C@H](C)[C@H](OCc2ccccc2)C[C@H]1OCc1ccccc1.
What is the InChIKey of [(3R,5R,6R)-6-methyl-3,5-bis(phenylmethoxy)oxan-2-yl] acetate?
The InChIKey is AEPLTIPXMYJFQH-XURXJGIDSA-N. The full InChI is InChI=1S/C22H26O5/c1-16-20(24-14-18-9-5-3-6-10-18)13-21(22(26-16)27-17(2)23)25-15-19-11-7-4-8-12-19/h3-12,16,20-22H,13-15H2,1-2H3/t16-,20-,21-,22?/m1/s1.
What are the key properties of [(3R,5R,6R)-6-methyl-3,5-bis(phenylmethoxy)oxan-2-yl] acetate?
[(3R,5R,6R)-6-methyl-3,5-bis(phenylmethoxy)oxan-2-yl] acetate has a molecular weight of 370.45 g/mol, XLogP of 3.86, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,5R,6R)-6-methyl-3,5-bis(phenylmethoxy)oxan-2-yl] acetate is sourced from PubChem (CID 11132398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).