methyl 2-[(2R,3S,4R,5S)-3,4-dimethyl-5-(phenylmethoxymethyl)-3-trimethylsilyloxolan-2-yl]acetate

C20H32O4Si — CID 10361441

IUPACmethyl 2-[(2R,3S,4R,5S)-3,4-dimethyl-5-(phenylmethoxymethyl)-3-trimethylsilyloxolan-2-yl]acetate
SMILESCOC(=O)C[C@H]1O[C@H](COCc2ccccc2)[C@@H](C)[C@]1(C)[Si](C)(C)C
InChIInChI=1S/C20H32O4Si/c1-15-17(14-23-13-16-10-8-7-9-11-16)24-18(12-19(21)22-3)20(15,2)25(4,5)6/h7-11,15,17-18H,12-14H2,1-6H3/t15-,17-,18-,20+/m1/s1
InChIKeyHQXKDGXCKQHHCF-UIXUWTQFSA-N
MW364.56 g/mol
LogP4.27
Rot. Bonds7

About methyl 2-[(2R,3S,4R,5S)-3,4-dimethyl-5-(phenylmethoxymethyl)-3-trimethylsilyloxolan-2-yl]acetate

methyl 2-[(2R,3S,4R,5S)-3,4-dimethyl-5-(phenylmethoxymethyl)-3-trimethylsilyloxolan-2-yl]acetate (PubChem CID 10361441) has the molecular formula C20H32O4Si and a molecular weight of 364.56 g/mol. Its IUPAC name is methyl 2-[(2R,3S,4R,5S)-3,4-dimethyl-5-(phenylmethoxymethyl)-3-trimethylsilyloxolan-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(2R,3S,4R,5S)-3,4-dimethyl-5-(phenylmethoxymethyl)-3-trimethylsilyloxolan-2-yl]acetate
PubChem CID10361441
Molecular FormulaC20H32O4Si
Molecular Weight364.56 g/mol
Exact Mass364.21
IUPAC Namemethyl 2-[(2R,3S,4R,5S)-3,4-dimethyl-5-(phenylmethoxymethyl)-3-trimethylsilyloxolan-2-yl]acetate
SMILESCOC(=O)C[C@H]1O[C@H](COCc2ccccc2)[C@@H](C)[C@]1(C)[Si](C)(C)C
InChIInChI=1S/C20H32O4Si/c1-15-17(14-23-13-16-10-8-7-9-11-16)24-18(12-19(21)22-3)20(15,2)25(4,5)6/h7-11,15,17-18H,12-14H2,1-6H3/t15-,17-,18-,20+/m1/s1
InChIKeyHQXKDGXCKQHHCF-UIXUWTQFSA-N
XLogP4.27
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.56
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl 2-[(2R,3S,4R,5S)-3,4-dimethyl-5-(phenylmethoxymethyl)-3-trimethylsilyloxolan-2-yl]acetate with MolForge

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Related Compounds

methyl (2S,3R)-3-(phenylmethoxymethyl)oxirane-2-carboxylate
CID 101113540
methyl 2-[(2R,3R,4S,5R,6R)-5-hydroxy-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]acetate
CID 126561419
methyl 2-[5-(phenylmethoxymethyl)oxolan-2-yl]acetate
CID 72501445
1-[(2R,3S,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]propan-2-one
CID 177494460
methyl 2-[3-(phenylmethoxymethyl)cyclobutyl]acetate
CID 59252300
methyl 2-[(2S,3S,4R,5R,6R)-6-(aminomethyl)-3,4,5-tris(phenylmethoxy)oxan-2-yl]acetate
CID 11145593
methyl (2S,3R,4R)-3-hydroxy-4-(phenylmethoxymethyl)oxetane-2-carboxylate
CID 15546087
2-[(4S,5S)-2,2-dimethyl-5-(phenylmethoxymethyl)-1,3-dioxolan-4-yl]acetaldehyde
CID 11149732
(2R,3S,4R,5R)-2,3-dimethyl-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolane
CID 58759413
1-[(4R)-2,2-dimethyl-5-(phenylmethoxymethyl)-1,3-dioxolan-4-yl]ethanone
CID 155933007
3-(phenylmethoxymethyl)oxirane-2-carboxamide
CID 10130485
ethyl 2-[[(4R,5R)-2,2-dimethyl-5-(phenylmethoxymethyl)-1,3-dioxolan-4-yl]methoxy]acetate
CID 102115642

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2R,3S,4R,5S)-3,4-dimethyl-5-(phenylmethoxymethyl)-3-trimethylsilyloxolan-2-yl]acetate?
The IUPAC name of methyl 2-[(2R,3S,4R,5S)-3,4-dimethyl-5-(phenylmethoxymethyl)-3-trimethylsilyloxolan-2-yl]acetate (CID 10361441) is methyl 2-[(2R,3S,4R,5S)-3,4-dimethyl-5-(phenylmethoxymethyl)-3-trimethylsilyloxolan-2-yl]acetate.
What is the SMILES notation for methyl 2-[(2R,3S,4R,5S)-3,4-dimethyl-5-(phenylmethoxymethyl)-3-trimethylsilyloxolan-2-yl]acetate?
The canonical SMILES for methyl 2-[(2R,3S,4R,5S)-3,4-dimethyl-5-(phenylmethoxymethyl)-3-trimethylsilyloxolan-2-yl]acetate is COC(=O)C[C@H]1O[C@H](COCc2ccccc2)[C@@H](C)[C@]1(C)[Si](C)(C)C.
What is the InChIKey of methyl 2-[(2R,3S,4R,5S)-3,4-dimethyl-5-(phenylmethoxymethyl)-3-trimethylsilyloxolan-2-yl]acetate?
The InChIKey is HQXKDGXCKQHHCF-UIXUWTQFSA-N. The full InChI is InChI=1S/C20H32O4Si/c1-15-17(14-23-13-16-10-8-7-9-11-16)24-18(12-19(21)22-3)20(15,2)25(4,5)6/h7-11,15,17-18H,12-14H2,1-6H3/t15-,17-,18-,20+/m1/s1.
What are the key properties of methyl 2-[(2R,3S,4R,5S)-3,4-dimethyl-5-(phenylmethoxymethyl)-3-trimethylsilyloxolan-2-yl]acetate?
methyl 2-[(2R,3S,4R,5S)-3,4-dimethyl-5-(phenylmethoxymethyl)-3-trimethylsilyloxolan-2-yl]acetate has a molecular weight of 364.56 g/mol, XLogP of 4.27, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2R,3S,4R,5S)-3,4-dimethyl-5-(phenylmethoxymethyl)-3-trimethylsilyloxolan-2-yl]acetate is sourced from PubChem (CID 10361441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).