methyl (2R)-2-[(2S,3R,4S,5S)-3-[dimethyl(phenyl)silyl]-4-methyl-5-(phenylmethoxymethyl)oxolan-2-yl]propanoate

C25H34O4Si — CID 15105057

IUPACmethyl (2R)-2-[(2S,3R,4S,5S)-3-[dimethyl(phenyl)silyl]-4-methyl-5-(phenylmethoxymethyl)oxolan-2-yl]propanoate
SMILESCOC(=O)[C@H](C)[C@@H]1O[C@H](COCc2ccccc2)[C@H](C)[C@H]1[Si](C)(C)c1ccccc1
InChIInChI=1S/C25H34O4Si/c1-18-22(17-28-16-20-12-8-6-9-13-20)29-23(19(2)25(26)27-3)24(18)30(4,5)21-14-10-7-11-15-21/h6-15,18-19,22-24H,16-17H2,1-5H3/t18-,19+,22+,23-,24+/m0/s1
InChIKeyPMFCCVJYAMPDDU-QENKCHOGSA-N
MW426.63 g/mol
LogP4.40
Rot. Bonds8

About methyl (2R)-2-[(2S,3R,4S,5S)-3-[dimethyl(phenyl)silyl]-4-methyl-5-(phenylmethoxymethyl)oxolan-2-yl]propanoate

methyl (2R)-2-[(2S,3R,4S,5S)-3-[dimethyl(phenyl)silyl]-4-methyl-5-(phenylmethoxymethyl)oxolan-2-yl]propanoate (PubChem CID 15105057) has the molecular formula C25H34O4Si and a molecular weight of 426.63 g/mol. Its IUPAC name is methyl (2R)-2-[(2S,3R,4S,5S)-3-[dimethyl(phenyl)silyl]-4-methyl-5-(phenylmethoxymethyl)oxolan-2-yl]propanoate.

Molecular Properties

Compound Namemethyl (2R)-2-[(2S,3R,4S,5S)-3-[dimethyl(phenyl)silyl]-4-methyl-5-(phenylmethoxymethyl)oxolan-2-yl]propanoate
PubChem CID15105057
Molecular FormulaC25H34O4Si
Molecular Weight426.63 g/mol
Exact Mass426.22
IUPAC Namemethyl (2R)-2-[(2S,3R,4S,5S)-3-[dimethyl(phenyl)silyl]-4-methyl-5-(phenylmethoxymethyl)oxolan-2-yl]propanoate
SMILESCOC(=O)[C@H](C)[C@@H]1O[C@H](COCc2ccccc2)[C@H](C)[C@H]1[Si](C)(C)c1ccccc1
InChIInChI=1S/C25H34O4Si/c1-18-22(17-28-16-20-12-8-6-9-13-20)29-23(19(2)25(26)27-3)24(18)30(4,5)21-14-10-7-11-15-21/h6-15,18-19,22-24H,16-17H2,1-5H3/t18-,19+,22+,23-,24+/m0/s1
InChIKeyPMFCCVJYAMPDDU-QENKCHOGSA-N
XLogP4.40
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.63
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

(2R,3S,3aS,6aR)-2-benzyl-3-phenylmethoxy-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one
CID 72191682
Dimethyl 3,5-diphenyltetrahydro-2,4-furandicarboxylate
CID 11836756
benzyl 2-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]acetate
CID 12192987
(4R,5R)-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-one
CID 10686548
benzyl (2S)-2-[(2S,5R)-5-[(2S)-2-[(2S)-2-acetyloxy-2-phenylacetyl]oxy-3,3,3-trifluoropropyl]oxolan-2-yl]propanoate
CID 101549944
benzyl (2R)-2-[(2R,5S)-5-[(2R)-2-[(2S)-2-acetyloxy-2-phenylacetyl]oxy-3,3,3-trifluoropropyl]oxolan-2-yl]propanoate
CID 134838272
(3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3-fluoro-3-methyl-5-(phenylmethoxymethyl)oxolan-2-one
CID 134950416
methyl (2S)-2-[(2S,5R)-5-[(2R)-2-phenylmethoxypropyl]oxolan-2-yl]propanoate
CID 10542708
(2R,3S,5S)-3-[dimethyl(phenyl)silyl]-2-hexyl-5-phenylmethoxyhexadecanoic acid
CID 14610785
(2S,3S,5R)-5-(benzyloxy)-3-((tert-butyldimethylsilyl)oxy)-2-hexylhexadecanoic acid
CID 10348166
4-(2-Phenyl-1,3-dioxolan-2-yl)butyl 3-cyclohexylpropionate
CID 22320911
3o,5o-Dibenzyl-2-deoxy-1,4-ribonolactone
CID 23379023

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[(2S,3R,4S,5S)-3-[dimethyl(phenyl)silyl]-4-methyl-5-(phenylmethoxymethyl)oxolan-2-yl]propanoate?
The IUPAC name of methyl (2R)-2-[(2S,3R,4S,5S)-3-[dimethyl(phenyl)silyl]-4-methyl-5-(phenylmethoxymethyl)oxolan-2-yl]propanoate (CID 15105057) is methyl (2R)-2-[(2S,3R,4S,5S)-3-[dimethyl(phenyl)silyl]-4-methyl-5-(phenylmethoxymethyl)oxolan-2-yl]propanoate.
What is the SMILES notation for methyl (2R)-2-[(2S,3R,4S,5S)-3-[dimethyl(phenyl)silyl]-4-methyl-5-(phenylmethoxymethyl)oxolan-2-yl]propanoate?
The canonical SMILES for methyl (2R)-2-[(2S,3R,4S,5S)-3-[dimethyl(phenyl)silyl]-4-methyl-5-(phenylmethoxymethyl)oxolan-2-yl]propanoate is COC(=O)[C@H](C)[C@@H]1O[C@H](COCc2ccccc2)[C@H](C)[C@H]1[Si](C)(C)c1ccccc1.
What is the InChIKey of methyl (2R)-2-[(2S,3R,4S,5S)-3-[dimethyl(phenyl)silyl]-4-methyl-5-(phenylmethoxymethyl)oxolan-2-yl]propanoate?
The InChIKey is PMFCCVJYAMPDDU-QENKCHOGSA-N. The full InChI is InChI=1S/C25H34O4Si/c1-18-22(17-28-16-20-12-8-6-9-13-20)29-23(19(2)25(26)27-3)24(18)30(4,5)21-14-10-7-11-15-21/h6-15,18-19,22-24H,16-17H2,1-5H3/t18-,19+,22+,23-,24+/m0/s1.
What are the key properties of methyl (2R)-2-[(2S,3R,4S,5S)-3-[dimethyl(phenyl)silyl]-4-methyl-5-(phenylmethoxymethyl)oxolan-2-yl]propanoate?
methyl (2R)-2-[(2S,3R,4S,5S)-3-[dimethyl(phenyl)silyl]-4-methyl-5-(phenylmethoxymethyl)oxolan-2-yl]propanoate has a molecular weight of 426.63 g/mol, XLogP of 4.40, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[(2S,3R,4S,5S)-3-[dimethyl(phenyl)silyl]-4-methyl-5-(phenylmethoxymethyl)oxolan-2-yl]propanoate is sourced from PubChem (CID 15105057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).