[(2R,6S)-6-(phenylmethoxymethyl)-1,4-dioxan-2-yl]methyl acetate

C15H20O5 — CID 93493280

IUPAC[(2R,6S)-6-(phenylmethoxymethyl)-1,4-dioxan-2-yl]methyl acetate
SMILESCC(=O)OC[C@H]1COC[C@H](COCc2ccccc2)O1
InChIInChI=1S/C15H20O5/c1-12(16)19-11-15-10-18-9-14(20-15)8-17-7-13-5-3-2-4-6-13/h2-6,14-15H,7-11H2,1H3/t14-,15+/m0/s1
InChIKeyVJMAITQRABEEKP-LSDHHAIUSA-N
MW280.32 g/mol
LogP1.55
Rot. Bonds6

About [(2R,6S)-6-(phenylmethoxymethyl)-1,4-dioxan-2-yl]methyl acetate

[(2R,6S)-6-(phenylmethoxymethyl)-1,4-dioxan-2-yl]methyl acetate (PubChem CID 93493280) has the molecular formula C15H20O5 and a molecular weight of 280.32 g/mol. Its IUPAC name is [(2R,6S)-6-(phenylmethoxymethyl)-1,4-dioxan-2-yl]methyl acetate.

Molecular Properties

Compound Name[(2R,6S)-6-(phenylmethoxymethyl)-1,4-dioxan-2-yl]methyl acetate
PubChem CID93493280
Molecular FormulaC15H20O5
Molecular Weight280.32 g/mol
Exact Mass280.13
IUPAC Name[(2R,6S)-6-(phenylmethoxymethyl)-1,4-dioxan-2-yl]methyl acetate
SMILESCC(=O)OC[C@H]1COC[C@H](COCc2ccccc2)O1
InChIInChI=1S/C15H20O5/c1-12(16)19-11-15-10-18-9-14(20-15)8-17-7-13-5-3-2-4-6-13/h2-6,14-15H,7-11H2,1H3/t14-,15+/m0/s1
InChIKeyVJMAITQRABEEKP-LSDHHAIUSA-N
XLogP1.55
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(2S,5S)-5-(2-phenylmethoxyethoxymethyl)oxolan-2-yl]methyl acetate
CID 125485988
methyl 2-[5-(phenylmethoxymethyl)oxolan-2-yl]acetate
CID 72501445
[(1R,3R,5R,6R,8R,10R,11R,13R,15R,16R,18R,20R,21R,23R,25R,26R,28R,30R,31R,33R,35R,36S,37R,38S,39R,40S,41R,42S,43R,44S,45R,46S,47R,48S,49R)-20,25-bis(acetyloxymethyl)-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecakis(phenylmethoxy)-10,15,30,35-tetrakis(phenylmethoxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-5-yl]methyl acetate
CID 44606511
[4,5,6-triacetyloxy-5-(phenylmethoxymethyl)oxan-2-yl]methyl acetate
CID 123626996
3-methyl-5-(phenylmethoxymethyl)oxolane-2-carboxamide
CID 91431609
(2S,6S)-2,6-bis(phenylmethoxymethyl)morpholine
CID 176754636
benzyl acetate
CID 8785
2-[(3S,4R,5S,6R)-6-(acetyloxymethyl)-3,4,5-tris(phenylmethoxy)oxan-2-yl]ethyl acetate
CID 102328754
(6S)-2-ethyl-6-(phenylmethoxymethyl)oxane
CID 139257658
trimethyl-[[(2R,5S)-5-(phenylmethoxymethyl)oxolan-2-yl]methyl]silane
CID 100983477
1-[(2R,3S,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]propan-2-one
CID 177494460
(2R,4R,5R)-5-ethyl-2-(phenylmethoxymethyl)oxan-4-ol
CID 24764148

Frequently Asked Questions

What is the IUPAC name of [(2R,6S)-6-(phenylmethoxymethyl)-1,4-dioxan-2-yl]methyl acetate?
The IUPAC name of [(2R,6S)-6-(phenylmethoxymethyl)-1,4-dioxan-2-yl]methyl acetate (CID 93493280) is [(2R,6S)-6-(phenylmethoxymethyl)-1,4-dioxan-2-yl]methyl acetate.
What is the SMILES notation for [(2R,6S)-6-(phenylmethoxymethyl)-1,4-dioxan-2-yl]methyl acetate?
The canonical SMILES for [(2R,6S)-6-(phenylmethoxymethyl)-1,4-dioxan-2-yl]methyl acetate is CC(=O)OC[C@H]1COC[C@H](COCc2ccccc2)O1.
What is the InChIKey of [(2R,6S)-6-(phenylmethoxymethyl)-1,4-dioxan-2-yl]methyl acetate?
The InChIKey is VJMAITQRABEEKP-LSDHHAIUSA-N. The full InChI is InChI=1S/C15H20O5/c1-12(16)19-11-15-10-18-9-14(20-15)8-17-7-13-5-3-2-4-6-13/h2-6,14-15H,7-11H2,1H3/t14-,15+/m0/s1.
What are the key properties of [(2R,6S)-6-(phenylmethoxymethyl)-1,4-dioxan-2-yl]methyl acetate?
[(2R,6S)-6-(phenylmethoxymethyl)-1,4-dioxan-2-yl]methyl acetate has a molecular weight of 280.32 g/mol, XLogP of 1.55, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,6S)-6-(phenylmethoxymethyl)-1,4-dioxan-2-yl]methyl acetate is sourced from PubChem (CID 93493280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).