(1S)-1-[(2S,3S)-3-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-2-methyloxiran-2-yl]-3-tri(propan-2-yl)silylprop-2-yn-1-ol

C24H48O3Si2 — CID 134945615

IUPAC(1S)-1-[(2S,3S)-3-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-2-methyloxiran-2-yl]-3-tri(propan-2-yl)silylprop-2-yn-1-ol
SMILESCC(C)[Si](C#C[C@H](O)[C@]1(C)O[C@H]1[C@@H](C)CO[Si](C)(C)C(C)(C)C)(C(C)C)C(C)C
InChIInChI=1S/C24H48O3Si2/c1-17(2)29(18(3)4,19(5)6)15-14-21(25)24(11)22(27-24)20(7)16-26-28(12,13)23(8,9)10/h17-22,25H,16H2,1-13H3/t20-,21-,22-,24-/m0/s1
InChIKeyQIQVDSHDYJQXKM-CDNNERCOSA-N
MW440.82 g/mol
LogP6.38
Rot. Bonds8

About (1S)-1-[(2S,3S)-3-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-2-methyloxiran-2-yl]-3-tri(propan-2-yl)silylprop-2-yn-1-ol

(1S)-1-[(2S,3S)-3-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-2-methyloxiran-2-yl]-3-tri(propan-2-yl)silylprop-2-yn-1-ol (PubChem CID 134945615) has the molecular formula C24H48O3Si2 and a molecular weight of 440.82 g/mol. Its IUPAC name is (1S)-1-[(2S,3S)-3-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-2-methyloxiran-2-yl]-3-tri(propan-2-yl)silylprop-2-yn-1-ol.

Molecular Properties

Compound Name(1S)-1-[(2S,3S)-3-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-2-methyloxiran-2-yl]-3-tri(propan-2-yl)silylprop-2-yn-1-ol
PubChem CID134945615
Molecular FormulaC24H48O3Si2
Molecular Weight440.82 g/mol
Exact Mass440.31
IUPAC Name(1S)-1-[(2S,3S)-3-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-2-methyloxiran-2-yl]-3-tri(propan-2-yl)silylprop-2-yn-1-ol
SMILESCC(C)[Si](C#C[C@H](O)[C@]1(C)O[C@H]1[C@@H](C)CO[Si](C)(C)C(C)(C)C)(C(C)C)C(C)C
InChIInChI=1S/C24H48O3Si2/c1-17(2)29(18(3)4,19(5)6)15-14-21(25)24(11)22(27-24)20(7)16-26-28(12,13)23(8,9)10/h17-22,25H,16H2,1-13H3/t20-,21-,22-,24-/m0/s1
InChIKeyQIQVDSHDYJQXKM-CDNNERCOSA-N
XLogP6.38
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.82
LogP ≤ 56.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

(2R,3R)-3-[(2R,3R)-3-methyloxiran-2-yl]-1-tri(propan-2-yl)silyloxybutan-2-ol
CID 11023066
(2S,3S,4S,5R,6S)-3-ethynyl-2-(hydroxymethyl)-6-(2-trimethylsilylethynyl)-5-tri(propan-2-yl)silyloxyoxan-4-ol
CID 11144353
(2R,3R)-3-[(2R,3S)-3-methyloxiran-2-yl]-1-tri(propan-2-yl)silyloxybutan-2-ol
CID 11358562
[(2R,3R)-3-[(2R)-2-methyl-2-tri(propan-2-yl)silyloxypentyl]oxiran-2-yl]methanol
CID 11688526
(2R,3S)-3-[(2R,3R)-3-methyloxiran-2-yl]-1-tri(propan-2-yl)silyloxybutan-2-ol
CID 12061955
3-(3-Methyloxiran-2-yl)-1-tri(propan-2-yl)silyloxybutan-2-ol
CID 14967405
[(2S,3R,4S,5R,6R)-3,6-diethynyl-4,5-bis[tri(propan-2-yl)silyloxy]oxan-2-yl]methanol
CID 102303639
(2S,3R,4S,5S)-2-[tert-butyl(dimethyl)silyl]oxy-4-methyl-7-trimethylsilylhept-6-yne-1,3,5-triol
CID 134878533
(2R,3R,4R,5S,6R)-3-ethynyl-2-(hydroxymethyl)-6-(2-trimethylsilylethynyl)-5-tri(propan-2-yl)silyloxyoxan-4-ol
CID 134885279
[(2R,3R)-3-[(2S,3S)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]heptan-2-yl]-2-methyloxiran-2-yl]methanol
CID 134931175
[(2S,3S)-3-[(2S,3S)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]heptan-2-yl]-2-methyloxiran-2-yl]methanol
CID 134931176
[(2R)-3-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]-2-methyloxiran-2-yl]methanol
CID 134967096

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[(2S,3S)-3-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-2-methyloxiran-2-yl]-3-tri(propan-2-yl)silylprop-2-yn-1-ol?
The IUPAC name of (1S)-1-[(2S,3S)-3-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-2-methyloxiran-2-yl]-3-tri(propan-2-yl)silylprop-2-yn-1-ol (CID 134945615) is (1S)-1-[(2S,3S)-3-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-2-methyloxiran-2-yl]-3-tri(propan-2-yl)silylprop-2-yn-1-ol.
What is the SMILES notation for (1S)-1-[(2S,3S)-3-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-2-methyloxiran-2-yl]-3-tri(propan-2-yl)silylprop-2-yn-1-ol?
The canonical SMILES for (1S)-1-[(2S,3S)-3-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-2-methyloxiran-2-yl]-3-tri(propan-2-yl)silylprop-2-yn-1-ol is CC(C)[Si](C#C[C@H](O)[C@]1(C)O[C@H]1[C@@H](C)CO[Si](C)(C)C(C)(C)C)(C(C)C)C(C)C.
What is the InChIKey of (1S)-1-[(2S,3S)-3-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-2-methyloxiran-2-yl]-3-tri(propan-2-yl)silylprop-2-yn-1-ol?
The InChIKey is QIQVDSHDYJQXKM-CDNNERCOSA-N. The full InChI is InChI=1S/C24H48O3Si2/c1-17(2)29(18(3)4,19(5)6)15-14-21(25)24(11)22(27-24)20(7)16-26-28(12,13)23(8,9)10/h17-22,25H,16H2,1-13H3/t20-,21-,22-,24-/m0/s1.
What are the key properties of (1S)-1-[(2S,3S)-3-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-2-methyloxiran-2-yl]-3-tri(propan-2-yl)silylprop-2-yn-1-ol?
(1S)-1-[(2S,3S)-3-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-2-methyloxiran-2-yl]-3-tri(propan-2-yl)silylprop-2-yn-1-ol has a molecular weight of 440.82 g/mol, XLogP of 6.38, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[(2S,3S)-3-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-2-methyloxiran-2-yl]-3-tri(propan-2-yl)silylprop-2-yn-1-ol is sourced from PubChem (CID 134945615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).