(2S,3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylhex-5-yn-1-ol

C20H42O3Si2 — CID 134848527

IUPAC(2S,3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylhex-5-yn-1-ol
SMILESC#C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)[C@@H](CO)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H42O3Si2/c1-13-18(23-25(11,12)20(6,7)8)16(2)17(14-21)15-22-24(9,10)19(3,4)5/h1,16-18,21H,14-15H2,2-12H3/t16-,17-,18+/m0/s1
InChIKeyQZYNZGPGHVMGHB-OKZBNKHCSA-N
MW386.73 g/mol
LogP5.28
Rot. Bonds8

About (2S,3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylhex-5-yn-1-ol

(2S,3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylhex-5-yn-1-ol (PubChem CID 134848527) has the molecular formula C20H42O3Si2 and a molecular weight of 386.73 g/mol. Its IUPAC name is (2S,3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylhex-5-yn-1-ol.

Molecular Properties

Compound Name(2S,3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylhex-5-yn-1-ol
PubChem CID134848527
Molecular FormulaC20H42O3Si2
Molecular Weight386.73 g/mol
Exact Mass386.27
IUPAC Name(2S,3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylhex-5-yn-1-ol
SMILESC#C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)[C@@H](CO)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H42O3Si2/c1-13-18(23-25(11,12)20(6,7)8)16(2)17(14-21)15-22-24(9,10)19(3,4)5/h1,16-18,21H,14-15H2,2-12H3/t16-,17-,18+/m0/s1
InChIKeyQZYNZGPGHVMGHB-OKZBNKHCSA-N
XLogP5.28
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.73
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S,3S,4S)-1-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhex-5-yn-3-ol
CID 10682541
(3S,4R)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-5-yn-3-ol
CID 11499711
tert-butyl-[(3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-5-ynoxy]-dimethylsilane
CID 11544935
tert-butyl-dimethyl-[(3R,4S)-4-methyl-3-triethylsilyloxyhex-5-ynoxy]silane
CID 11602878
(2S,3S,4R)-1-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhex-5-yn-3-ol
CID 11736971
(3R,4R,5S,6S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-4,6-dimethyl-1-trimethylsilylhept-1-yn-3-ol
CID 101756872
(2R,3R,4S)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2-tri(propan-2-yl)silyloxyethyl]-4-methyl-6-trimethylsilylhex-5-yne-1,3-diol
CID 102143529
7-[2,3-Dimethylbutan-2-yl(dimethyl)silyl]oxycyclododeca-2,8-diyn-1-ol
CID 134884608
CID 134931502
CID 134931502
3-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]pent-4-yn-2-ol
CID 135036869
(2R,3R,4R)-1-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhept-5-yn-3-ol
CID 135079167
(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-tri(propan-2-yl)silylpent-4-yn-1-ol
CID 138980520

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylhex-5-yn-1-ol?
The IUPAC name of (2S,3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylhex-5-yn-1-ol (CID 134848527) is (2S,3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylhex-5-yn-1-ol.
What is the SMILES notation for (2S,3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylhex-5-yn-1-ol?
The canonical SMILES for (2S,3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylhex-5-yn-1-ol is C#C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)[C@@H](CO)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2S,3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylhex-5-yn-1-ol?
The InChIKey is QZYNZGPGHVMGHB-OKZBNKHCSA-N. The full InChI is InChI=1S/C20H42O3Si2/c1-13-18(23-25(11,12)20(6,7)8)16(2)17(14-21)15-22-24(9,10)19(3,4)5/h1,16-18,21H,14-15H2,2-12H3/t16-,17-,18+/m0/s1.
What are the key properties of (2S,3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylhex-5-yn-1-ol?
(2S,3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylhex-5-yn-1-ol has a molecular weight of 386.73 g/mol, XLogP of 5.28, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylhex-5-yn-1-ol is sourced from PubChem (CID 134848527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).