methyl 2-[(2R,4R,6R)-6-ethyl-2-phenyl-1,3-dioxan-4-yl]acetate

C15H20O4 — CID 10038442

IUPACmethyl 2-[(2R,4R,6R)-6-ethyl-2-phenyl-1,3-dioxan-4-yl]acetate
SMILESCC[C@@H]1C[C@H](CC(=O)OC)O[C@H](c2ccccc2)O1
InChIInChI=1S/C15H20O4/c1-3-12-9-13(10-14(16)17-2)19-15(18-12)11-7-5-4-6-8-11/h4-8,12-13,15H,3,9-10H2,1-2H3/t12-,13-,15-/m1/s1
InChIKeyJUJWCFFKMXGXBQ-UMVBOHGHSA-N
MW264.32 g/mol
LogP2.83
Rot. Bonds4

About methyl 2-[(2R,4R,6R)-6-ethyl-2-phenyl-1,3-dioxan-4-yl]acetate

methyl 2-[(2R,4R,6R)-6-ethyl-2-phenyl-1,3-dioxan-4-yl]acetate (PubChem CID 10038442) has the molecular formula C15H20O4 and a molecular weight of 264.32 g/mol. Its IUPAC name is methyl 2-[(2R,4R,6R)-6-ethyl-2-phenyl-1,3-dioxan-4-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(2R,4R,6R)-6-ethyl-2-phenyl-1,3-dioxan-4-yl]acetate
PubChem CID10038442
Molecular FormulaC15H20O4
Molecular Weight264.32 g/mol
Exact Mass264.14
IUPAC Namemethyl 2-[(2R,4R,6R)-6-ethyl-2-phenyl-1,3-dioxan-4-yl]acetate
SMILESCC[C@@H]1C[C@H](CC(=O)OC)O[C@H](c2ccccc2)O1
InChIInChI=1S/C15H20O4/c1-3-12-9-13(10-14(16)17-2)19-15(18-12)11-7-5-4-6-8-11/h4-8,12-13,15H,3,9-10H2,1-2H3/t12-,13-,15-/m1/s1
InChIKeyJUJWCFFKMXGXBQ-UMVBOHGHSA-N
XLogP2.83
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 2-[(2R,4R,6R)-6-ethyl-2-phenyl-1,3-dioxan-4-yl]acetate with MolForge

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Related Compounds

5-Methyl-2-phenyl-1,3-dioxane-5-carboxylic acid
CID 704798
3,3,5,5-Tetramethyl-6-phenyldihydro-2H-pyran-2,4(3H)-dione
CID 534358
methyl 3-O-[3-(benzyloxy)-3-oxopropanoyl]-beta-D-galactopyranoside
CID 154573933
ethyl (E)-3-[(3S,6S)-6-(2-oxo-2-phenylmethoxyethyl)dioxan-3-yl]prop-2-enoate
CID 56670443
2H-Pyran-2,4(3H)-dione, dihydro-6-phenyl-
CID 558696
Ethyl 2-ethyl-3-methyl-4-oxo-6-phenyl-3,4-dihydro-2h-pyran-5-carboxylate
CID 185056
benzyl 2-[(3S,6S)-6-ethenyldioxan-3-yl]acetate
CID 53379620
ethyl (Z)-3-[(3S,6S)-6-(2-oxo-2-phenylmethoxyethyl)dioxan-3-yl]prop-2-enoate
CID 56680567
Benzyl 2,3,4,6-Tetra-O-acetyl-beta-D-Glucopyranoside
CID 2728829
methyl 2-[(2R,4S,5S,6R)-4,5-dihydroxy-6-phenyloxan-2-yl]acetate
CID 16079978
methyl (1S,3S,6R,8S)-3-phenyl-2,4,7-trioxabicyclo[4.2.0]octane-8-carboxylate
CID 11311250
(2S,3S,4S,5R)-3,4,5-trihydroxy-6-(1-phenylethoxy)oxane-2-carboxylic acid
CID 54040250

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2R,4R,6R)-6-ethyl-2-phenyl-1,3-dioxan-4-yl]acetate?
The IUPAC name of methyl 2-[(2R,4R,6R)-6-ethyl-2-phenyl-1,3-dioxan-4-yl]acetate (CID 10038442) is methyl 2-[(2R,4R,6R)-6-ethyl-2-phenyl-1,3-dioxan-4-yl]acetate.
What is the SMILES notation for methyl 2-[(2R,4R,6R)-6-ethyl-2-phenyl-1,3-dioxan-4-yl]acetate?
The canonical SMILES for methyl 2-[(2R,4R,6R)-6-ethyl-2-phenyl-1,3-dioxan-4-yl]acetate is CC[C@@H]1C[C@H](CC(=O)OC)O[C@H](c2ccccc2)O1.
What is the InChIKey of methyl 2-[(2R,4R,6R)-6-ethyl-2-phenyl-1,3-dioxan-4-yl]acetate?
The InChIKey is JUJWCFFKMXGXBQ-UMVBOHGHSA-N. The full InChI is InChI=1S/C15H20O4/c1-3-12-9-13(10-14(16)17-2)19-15(18-12)11-7-5-4-6-8-11/h4-8,12-13,15H,3,9-10H2,1-2H3/t12-,13-,15-/m1/s1.
What are the key properties of methyl 2-[(2R,4R,6R)-6-ethyl-2-phenyl-1,3-dioxan-4-yl]acetate?
methyl 2-[(2R,4R,6R)-6-ethyl-2-phenyl-1,3-dioxan-4-yl]acetate has a molecular weight of 264.32 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2R,4R,6R)-6-ethyl-2-phenyl-1,3-dioxan-4-yl]acetate is sourced from PubChem (CID 10038442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).