methyl 2-[(2R,3S,5S)-3-[tert-butyl(diphenyl)silyl]oxy-5-[(1R)-1-methoxyethyl]oxolan-2-yl]acetate

C26H36O5Si — CID 10961482

IUPACmethyl 2-[(2R,3S,5S)-3-[tert-butyl(diphenyl)silyl]oxy-5-[(1R)-1-methoxyethyl]oxolan-2-yl]acetate
SMILESCOC(=O)C[C@H]1O[C@H]([C@@H](C)OC)C[C@@H]1O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C26H36O5Si/c1-19(28-5)22-17-24(23(30-22)18-25(27)29-6)31-32(26(2,3)4,20-13-9-7-10-14-20)21-15-11-8-12-16-21/h7-16,19,22-24H,17-18H2,1-6H3/t19-,22+,23-,24+/m1/s1
InChIKeySDTVHPDFOKMBGO-GOUWZUTHSA-N
MW456.66 g/mol
LogP3.69
Rot. Bonds8

About methyl 2-[(2R,3S,5S)-3-[tert-butyl(diphenyl)silyl]oxy-5-[(1R)-1-methoxyethyl]oxolan-2-yl]acetate

methyl 2-[(2R,3S,5S)-3-[tert-butyl(diphenyl)silyl]oxy-5-[(1R)-1-methoxyethyl]oxolan-2-yl]acetate (PubChem CID 10961482) has the molecular formula C26H36O5Si and a molecular weight of 456.66 g/mol. Its IUPAC name is methyl 2-[(2R,3S,5S)-3-[tert-butyl(diphenyl)silyl]oxy-5-[(1R)-1-methoxyethyl]oxolan-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(2R,3S,5S)-3-[tert-butyl(diphenyl)silyl]oxy-5-[(1R)-1-methoxyethyl]oxolan-2-yl]acetate
PubChem CID10961482
Molecular FormulaC26H36O5Si
Molecular Weight456.66 g/mol
Exact Mass456.23
IUPAC Namemethyl 2-[(2R,3S,5S)-3-[tert-butyl(diphenyl)silyl]oxy-5-[(1R)-1-methoxyethyl]oxolan-2-yl]acetate
SMILESCOC(=O)C[C@H]1O[C@H]([C@@H](C)OC)C[C@@H]1O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C26H36O5Si/c1-19(28-5)22-17-24(23(30-22)18-25(27)29-6)31-32(26(2,3)4,20-13-9-7-10-14-20)21-15-11-8-12-16-21/h7-16,19,22-24H,17-18H2,1-6H3/t19-,22+,23-,24+/m1/s1
InChIKeySDTVHPDFOKMBGO-GOUWZUTHSA-N
XLogP3.69
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.66
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(4R,5R)-4-[tert-butyl(diphenyl)silyl]oxy-5-[(2Z,5E)-octa-2,5-dienyl]oxolan-2-one
CID 11374293
(4R,5R)-4-[tert-butyl(diphenyl)silyl]oxy-5-(2-hydroxyethyl)oxolan-2-one
CID 11406491
[(1R,3R)-1-[tert-butyl(diphenyl)silyl]oxy-1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]hexan-3-yl] hex-5-enoate
CID 11541653
(4R,5S)-4-[tert-butyl(diphenyl)silyl]oxy-5-ethyloxolan-2-one
CID 11639253
[(4R,6R,7R)-6-[tert-butyl(diphenyl)silyl]oxy-7,8-dihydroxyoctan-4-yl] hex-5-enoate
CID 134938019
[(3R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(1-fluoro-1-methyl-ethyl)tetrahydrofuran-2-yl]acetate
CID 131737115
2-[(3R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(2-fluoropropan-2-yl)oxolan-2-yl]acetic acid
CID 131737116
2-[(2S,3R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-fluoro-3-methyloxolan-2-yl]acetic acid
CID 172751639
(4S,5R)-4-[tert-butyl(diphenyl)silyl]oxy-5-ethyl-3-fluorooxolan-2-one
CID 173668695
(2S,6aS,9aR)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,3,4,5,6,6a,9,9a-octahydrofuro[3,4-b]oxocin-7-one
CID 10343111
(4aS,6R,9aR)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,4,4a,8,9,9a-hexahydro-2H-pyrano[3,2-b]oxepin-7-one
CID 11080651
tert-butyl (3S)-3-[(2S,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]oxiran-2-yl]-3-hydroxypropanoate
CID 11705189

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2R,3S,5S)-3-[tert-butyl(diphenyl)silyl]oxy-5-[(1R)-1-methoxyethyl]oxolan-2-yl]acetate?
The IUPAC name of methyl 2-[(2R,3S,5S)-3-[tert-butyl(diphenyl)silyl]oxy-5-[(1R)-1-methoxyethyl]oxolan-2-yl]acetate (CID 10961482) is methyl 2-[(2R,3S,5S)-3-[tert-butyl(diphenyl)silyl]oxy-5-[(1R)-1-methoxyethyl]oxolan-2-yl]acetate.
What is the SMILES notation for methyl 2-[(2R,3S,5S)-3-[tert-butyl(diphenyl)silyl]oxy-5-[(1R)-1-methoxyethyl]oxolan-2-yl]acetate?
The canonical SMILES for methyl 2-[(2R,3S,5S)-3-[tert-butyl(diphenyl)silyl]oxy-5-[(1R)-1-methoxyethyl]oxolan-2-yl]acetate is COC(=O)C[C@H]1O[C@H]([C@@H](C)OC)C[C@@H]1O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of methyl 2-[(2R,3S,5S)-3-[tert-butyl(diphenyl)silyl]oxy-5-[(1R)-1-methoxyethyl]oxolan-2-yl]acetate?
The InChIKey is SDTVHPDFOKMBGO-GOUWZUTHSA-N. The full InChI is InChI=1S/C26H36O5Si/c1-19(28-5)22-17-24(23(30-22)18-25(27)29-6)31-32(26(2,3)4,20-13-9-7-10-14-20)21-15-11-8-12-16-21/h7-16,19,22-24H,17-18H2,1-6H3/t19-,22+,23-,24+/m1/s1.
What are the key properties of methyl 2-[(2R,3S,5S)-3-[tert-butyl(diphenyl)silyl]oxy-5-[(1R)-1-methoxyethyl]oxolan-2-yl]acetate?
methyl 2-[(2R,3S,5S)-3-[tert-butyl(diphenyl)silyl]oxy-5-[(1R)-1-methoxyethyl]oxolan-2-yl]acetate has a molecular weight of 456.66 g/mol, XLogP of 3.69, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2R,3S,5S)-3-[tert-butyl(diphenyl)silyl]oxy-5-[(1R)-1-methoxyethyl]oxolan-2-yl]acetate is sourced from PubChem (CID 10961482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).