ethyl 2-[(2R,4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-phenyloxan-2-yl]acetate

C21H34O4Si — CID 166448975

IUPACethyl 2-[(2R,4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-phenyloxan-2-yl]acetate
SMILESCCOC(=O)C[C@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H](c2ccccc2)O1
InChIInChI=1S/C21H34O4Si/c1-7-23-20(22)15-17-13-18(25-26(5,6)21(2,3)4)14-19(24-17)16-11-9-8-10-12-16/h8-12,17-19H,7,13-15H2,1-6H3/t17-,18-,19-/m1/s1
InChIKeyGVQCBRCFVDNFLJ-GUDVDZBRSA-N
MW378.59 g/mol
LogP5.25
Rot. Bonds6

About ethyl 2-[(2R,4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-phenyloxan-2-yl]acetate

ethyl 2-[(2R,4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-phenyloxan-2-yl]acetate (PubChem CID 166448975) has the molecular formula C21H34O4Si and a molecular weight of 378.59 g/mol. Its IUPAC name is ethyl 2-[(2R,4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-phenyloxan-2-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[(2R,4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-phenyloxan-2-yl]acetate
PubChem CID166448975
Molecular FormulaC21H34O4Si
Molecular Weight378.59 g/mol
Exact Mass378.22
IUPAC Nameethyl 2-[(2R,4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-phenyloxan-2-yl]acetate
SMILESCCOC(=O)C[C@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H](c2ccccc2)O1
InChIInChI=1S/C21H34O4Si/c1-7-23-20(22)15-17-13-18(25-26(5,6)21(2,3)4)14-19(24-17)16-11-9-8-10-12-16/h8-12,17-19H,7,13-15H2,1-6H3/t17-,18-,19-/m1/s1
InChIKeyGVQCBRCFVDNFLJ-GUDVDZBRSA-N
XLogP5.25
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.59
LogP ≤ 55.25
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

ethyl 2-[(2S,4S,6R)-4-hydroxy-6-phenyloxan-2-yl]acetate
CID 101247662
benzyl 2-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]acetate
CID 160532130
ethyl 2-[(1R,3S)-3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]acetate
CID 10828109
tert-butyl-[[(2S,4S,6R)-4-(methoxymethoxy)-6-phenyloxan-2-yl]methoxy]-dimethylsilane
CID 166448933
(4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethoxycarbonylcyclopentane-1-carboxylic acid
CID 91256092
ethyl 2-[4-[tert-butyl(dimethyl)silyl]oxy-1-(1-methylindole-2-carbonyl)pyrrolidin-2-yl]acetate
CID 101259626
ethyl 2-[(2R,4R,6S)-6-(4-methoxyphenyl)-4-(4-methylphenyl)sulfonyloxyoxan-2-yl]acetate
CID 138968440
ethyl 2-(benzenesulfinyl)-2-[(3S,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylidenecyclohexyl]acetate
CID 11124620
ethyl 2-[(3S,4S)-2-benzyl-4-[tert-butyl(dimethyl)silyl]oxy-1,2-oxazolidin-3-yl]acetate
CID 15839780
ethyl (2S,4R)-1-benzyl-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-2-carboxylate
CID 23248578
ethyl (1S,2S,3S,4R,5S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-(2-ethoxy-2-oxoethyl)-5-phenylsulfanylcyclopentane-1-carboxylate
CID 11284827
ethyl (2R,3S,5R)-3-hydroxy-5-phenyloxolane-2-carboxylate
CID 10513963

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2R,4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-phenyloxan-2-yl]acetate?
The IUPAC name of ethyl 2-[(2R,4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-phenyloxan-2-yl]acetate (CID 166448975) is ethyl 2-[(2R,4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-phenyloxan-2-yl]acetate.
What is the SMILES notation for ethyl 2-[(2R,4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-phenyloxan-2-yl]acetate?
The canonical SMILES for ethyl 2-[(2R,4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-phenyloxan-2-yl]acetate is CCOC(=O)C[C@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H](c2ccccc2)O1.
What is the InChIKey of ethyl 2-[(2R,4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-phenyloxan-2-yl]acetate?
The InChIKey is GVQCBRCFVDNFLJ-GUDVDZBRSA-N. The full InChI is InChI=1S/C21H34O4Si/c1-7-23-20(22)15-17-13-18(25-26(5,6)21(2,3)4)14-19(24-17)16-11-9-8-10-12-16/h8-12,17-19H,7,13-15H2,1-6H3/t17-,18-,19-/m1/s1.
What are the key properties of ethyl 2-[(2R,4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-phenyloxan-2-yl]acetate?
ethyl 2-[(2R,4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-phenyloxan-2-yl]acetate has a molecular weight of 378.59 g/mol, XLogP of 5.25, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2R,4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-phenyloxan-2-yl]acetate is sourced from PubChem (CID 166448975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).