(2S)-5-[tert-butyl(dimethyl)silyl]oxy-1-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]pent-3-yn-2-ol

C22H44O4Si2 — CID 135028759

IUPAC(2S)-5-[tert-butyl(dimethyl)silyl]oxy-1-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]pent-3-yn-2-ol
SMILESCC(C)(C)[Si](C)(C)OCC#C[C@@H](O)C[C@H]1OCCC[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H44O4Si2/c1-21(2,3)27(7,8)25-16-11-13-18(23)17-20-19(14-12-15-24-20)26-28(9,10)22(4,5)6/h18-20,23H,12,14-17H2,1-10H3/t18-,19+,20-/m1/s1
InChIKeyJTAIYIFLULUPSJ-HSALFYBXSA-N
MW428.76 g/mol
LogP5.33
Rot. Bonds6

About (2S)-5-[tert-butyl(dimethyl)silyl]oxy-1-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]pent-3-yn-2-ol

(2S)-5-[tert-butyl(dimethyl)silyl]oxy-1-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]pent-3-yn-2-ol (PubChem CID 135028759) has the molecular formula C22H44O4Si2 and a molecular weight of 428.76 g/mol. Its IUPAC name is (2S)-5-[tert-butyl(dimethyl)silyl]oxy-1-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]pent-3-yn-2-ol.

Molecular Properties

Compound Name(2S)-5-[tert-butyl(dimethyl)silyl]oxy-1-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]pent-3-yn-2-ol
PubChem CID135028759
Molecular FormulaC22H44O4Si2
Molecular Weight428.76 g/mol
Exact Mass428.28
IUPAC Name(2S)-5-[tert-butyl(dimethyl)silyl]oxy-1-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]pent-3-yn-2-ol
SMILESCC(C)(C)[Si](C)(C)OCC#C[C@@H](O)C[C@H]1OCCC[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H44O4Si2/c1-21(2,3)27(7,8)25-16-11-13-18(23)17-20-19(14-12-15-24-20)26-28(9,10)22(4,5)6/h18-20,23H,12,14-17H2,1-10H3/t18-,19+,20-/m1/s1
InChIKeyJTAIYIFLULUPSJ-HSALFYBXSA-N
XLogP5.33
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.76
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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)-4-[tert-butyl(dimethyl)silyl]oxy-1-hexadecoxybutan-2-ol
CID 11362793
(2R,3S,6S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-methyloxan-3-ol
CID 10492591
(2S,3S,4S,5R,6S)-3-ethynyl-2-(hydroxymethyl)-6-(2-trimethylsilylethynyl)-5-tri(propan-2-yl)silyloxyoxan-4-ol
CID 11144353
[(2S,3R,4S,5R,6R)-3,6-diethynyl-4,5-bis[tri(propan-2-yl)silyloxy]oxan-2-yl]methanol
CID 102303639
(2R,3R,4R,5S,6R)-3-ethynyl-2-(hydroxymethyl)-6-(2-trimethylsilylethynyl)-5-tri(propan-2-yl)silyloxyoxan-4-ol
CID 134885279
(1S)-1-[(2R,5R,6R)-5-[tert-butyl(dimethyl)silyl]oxy-6-dodecyloxan-2-yl]ethane-1,2-diol
CID 134940964
2-(Hydroxymethyl)-3,5-bis(triethylsilyloxy)-6-(2-trimethylsilylethynyl)oxan-4-ol
CID 135013738
(2R)-5-[tert-butyl(dimethyl)silyl]oxy-1-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]pent-3-yn-2-ol
CID 135028760
tert-butyl-[(2R,3R,4R,6R)-3-[tert-butyl(dimethyl)silyl]oxy-6-ethynyl-2-methyloxan-4-yl]oxy-dimethylsilane
CID 139247738
Zsuomluonmonaj-hddxrbdosa-
CID 23243307
3-[(2R,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-2-yl]propan-1-ol
CID 54175371
(2R,3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-3-ol
CID 56631115

Frequently Asked Questions

What is the IUPAC name of (2S)-5-[tert-butyl(dimethyl)silyl]oxy-1-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]pent-3-yn-2-ol?
The IUPAC name of (2S)-5-[tert-butyl(dimethyl)silyl]oxy-1-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]pent-3-yn-2-ol (CID 135028759) is (2S)-5-[tert-butyl(dimethyl)silyl]oxy-1-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]pent-3-yn-2-ol.
What is the SMILES notation for (2S)-5-[tert-butyl(dimethyl)silyl]oxy-1-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]pent-3-yn-2-ol?
The canonical SMILES for (2S)-5-[tert-butyl(dimethyl)silyl]oxy-1-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]pent-3-yn-2-ol is CC(C)(C)[Si](C)(C)OCC#C[C@@H](O)C[C@H]1OCCC[C@@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2S)-5-[tert-butyl(dimethyl)silyl]oxy-1-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]pent-3-yn-2-ol?
The InChIKey is JTAIYIFLULUPSJ-HSALFYBXSA-N. The full InChI is InChI=1S/C22H44O4Si2/c1-21(2,3)27(7,8)25-16-11-13-18(23)17-20-19(14-12-15-24-20)26-28(9,10)22(4,5)6/h18-20,23H,12,14-17H2,1-10H3/t18-,19+,20-/m1/s1.
What are the key properties of (2S)-5-[tert-butyl(dimethyl)silyl]oxy-1-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]pent-3-yn-2-ol?
(2S)-5-[tert-butyl(dimethyl)silyl]oxy-1-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]pent-3-yn-2-ol has a molecular weight of 428.76 g/mol, XLogP of 5.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-[tert-butyl(dimethyl)silyl]oxy-1-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]pent-3-yn-2-ol is sourced from PubChem (CID 135028759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).