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

C24H30O5 — CID 11069364

IUPACethyl 2-[(4R,6S)-2-phenyl-6-[(2S)-1-phenylmethoxypropan-2-yl]-1,3-dioxan-4-yl]acetate
SMILESCCOC(=O)C[C@H]1C[C@@H]([C@@H](C)COCc2ccccc2)OC(c2ccccc2)O1
InChIInChI=1S/C24H30O5/c1-3-27-23(25)15-21-14-22(29-24(28-21)20-12-8-5-9-13-20)18(2)16-26-17-19-10-6-4-7-11-19/h4-13,18,21-22,24H,3,14-17H2,1-2H3/t18-,21+,22-,24?/m0/s1
InChIKeyVWLXINRBWLKPIV-NOWJIEEXSA-N
MW398.50 g/mol
LogP4.67
Rot. Bonds9

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

ethyl 2-[(4R,6S)-2-phenyl-6-[(2S)-1-phenylmethoxypropan-2-yl]-1,3-dioxan-4-yl]acetate (PubChem CID 11069364) has the molecular formula C24H30O5 and a molecular weight of 398.50 g/mol. Its IUPAC name is ethyl 2-[(4R,6S)-2-phenyl-6-[(2S)-1-phenylmethoxypropan-2-yl]-1,3-dioxan-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[(4R,6S)-2-phenyl-6-[(2S)-1-phenylmethoxypropan-2-yl]-1,3-dioxan-4-yl]acetate
PubChem CID11069364
Molecular FormulaC24H30O5
Molecular Weight398.50 g/mol
Exact Mass398.21
IUPAC Nameethyl 2-[(4R,6S)-2-phenyl-6-[(2S)-1-phenylmethoxypropan-2-yl]-1,3-dioxan-4-yl]acetate
SMILESCCOC(=O)C[C@H]1C[C@@H]([C@@H](C)COCc2ccccc2)OC(c2ccccc2)O1
InChIInChI=1S/C24H30O5/c1-3-27-23(25)15-21-14-22(29-24(28-21)20-12-8-5-9-13-20)18(2)16-26-17-19-10-6-4-7-11-19/h4-13,18,21-22,24H,3,14-17H2,1-2H3/t18-,21+,22-,24?/m0/s1
InChIKeyVWLXINRBWLKPIV-NOWJIEEXSA-N
XLogP4.67
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.50
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Launch Full Analysis

Related Compounds

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CID 72725084
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2,2-dimethyl-7-phenyl-5-(2-phenylethyl)-7,8-dihydro-5H-pyrano[4,3-d][1,3]dioxin-4-one
CID 46904949
(1R,6E,13R,15S,16R,17S)-15-octoxy-16,17-bis(phenylmethoxy)-2,11,14-trioxabicyclo[11.4.0]heptadec-6-ene-3,10-dione
CID 46933696
(2S,3R)-3-[Bis-(4-fluoro-phenyl)-methoxy]-8-oxa-bicyclo[3.2.1]octane-2-carboxylic acid methyl ester
CID 44323131
(2S,3S)-3-[Bis-(4-fluoro-phenyl)-methoxy]-8-oxa-bicyclo[3.2.1]octane-2-carboxylic acid methyl ester
CID 44323133
(2R,3S)-3-[Bis-(4-fluoro-phenyl)-methoxy]-8-oxa-bicyclo[3.2.1]octane-2-carboxylic acid methyl ester
CID 44323348
2-Methoxy-3-(2-methylbut-3-en-2-yl)-6-phenyloxan-4-one
CID 168285589
(2S,3S,5R)-5-(benzyloxy)-2-hexyl-3-hydroxyhexadecanoic acid
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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4R,6S)-2-phenyl-6-[(2S)-1-phenylmethoxypropan-2-yl]-1,3-dioxan-4-yl]acetate?
The IUPAC name of ethyl 2-[(4R,6S)-2-phenyl-6-[(2S)-1-phenylmethoxypropan-2-yl]-1,3-dioxan-4-yl]acetate (CID 11069364) is ethyl 2-[(4R,6S)-2-phenyl-6-[(2S)-1-phenylmethoxypropan-2-yl]-1,3-dioxan-4-yl]acetate.
What is the SMILES notation for ethyl 2-[(4R,6S)-2-phenyl-6-[(2S)-1-phenylmethoxypropan-2-yl]-1,3-dioxan-4-yl]acetate?
The canonical SMILES for ethyl 2-[(4R,6S)-2-phenyl-6-[(2S)-1-phenylmethoxypropan-2-yl]-1,3-dioxan-4-yl]acetate is CCOC(=O)C[C@H]1C[C@@H]([C@@H](C)COCc2ccccc2)OC(c2ccccc2)O1.
What is the InChIKey of ethyl 2-[(4R,6S)-2-phenyl-6-[(2S)-1-phenylmethoxypropan-2-yl]-1,3-dioxan-4-yl]acetate?
The InChIKey is VWLXINRBWLKPIV-NOWJIEEXSA-N. The full InChI is InChI=1S/C24H30O5/c1-3-27-23(25)15-21-14-22(29-24(28-21)20-12-8-5-9-13-20)18(2)16-26-17-19-10-6-4-7-11-19/h4-13,18,21-22,24H,3,14-17H2,1-2H3/t18-,21+,22-,24?/m0/s1.
What are the key properties of ethyl 2-[(4R,6S)-2-phenyl-6-[(2S)-1-phenylmethoxypropan-2-yl]-1,3-dioxan-4-yl]acetate?
ethyl 2-[(4R,6S)-2-phenyl-6-[(2S)-1-phenylmethoxypropan-2-yl]-1,3-dioxan-4-yl]acetate has a molecular weight of 398.50 g/mol, XLogP of 4.67, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4R,6S)-2-phenyl-6-[(2S)-1-phenylmethoxypropan-2-yl]-1,3-dioxan-4-yl]acetate is sourced from PubChem (CID 11069364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).