(2S,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-trimethylsilylpent-4-yne-1,2-diol

C15H32O3Si2 — CID 102143532

IUPAC(2S,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-trimethylsilylpent-4-yne-1,2-diol
SMILESCC(C)(C)[Si](C)(C)OC[C@@H](C#C[Si](C)(C)C)[C@H](O)CO
InChIInChI=1S/C15H32O3Si2/c1-15(2,3)20(7,8)18-12-13(14(17)11-16)9-10-19(4,5)6/h13-14,16-17H,11-12H2,1-8H3/t13-,14-/m1/s1
InChIKeyOIXGLUPUAIWABA-ZIAGYGMSSA-N
MW316.59 g/mol
LogP2.86
Rot. Bonds5

About (2S,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-trimethylsilylpent-4-yne-1,2-diol

(2S,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-trimethylsilylpent-4-yne-1,2-diol (PubChem CID 102143532) has the molecular formula C15H32O3Si2 and a molecular weight of 316.59 g/mol. Its IUPAC name is (2S,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-trimethylsilylpent-4-yne-1,2-diol.

Molecular Properties

Compound Name(2S,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-trimethylsilylpent-4-yne-1,2-diol
PubChem CID102143532
Molecular FormulaC15H32O3Si2
Molecular Weight316.59 g/mol
Exact Mass316.19
IUPAC Name(2S,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-trimethylsilylpent-4-yne-1,2-diol
SMILESCC(C)(C)[Si](C)(C)OC[C@@H](C#C[Si](C)(C)C)[C@H](O)CO
InChIInChI=1S/C15H32O3Si2/c1-15(2,3)20(7,8)18-12-13(14(17)11-16)9-10-19(4,5)6/h13-14,16-17H,11-12H2,1-8H3/t13-,14-/m1/s1
InChIKeyOIXGLUPUAIWABA-ZIAGYGMSSA-N
XLogP2.86
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.59
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2S,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-trimethylsilylpent-4-yne-1,2-diol with MolForge

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Related Compounds

(3S,4S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methyl-1-trimethylsilylpent-1-yn-3-ol
CID 71561744
(3S)-5-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylpent-1-yn-3-ol
CID 15363416
(2S,3R)-4-[tert-butyl(dimethyl)silyl]oxy-2-iodobutane-1,3-diol
CID 102271148
(2R,3R,4R,5R)-1,6-bis[[tert-butyl(dimethyl)silyl]oxy]hexane-2,3,4,5-tetrol
CID 11486689
1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-ol
CID 14336173
1-[tert-butyl(dimethyl)silyl]oxypropan-2-ol
CID 13175134
(2S)-2-amino-3-[tert-butyl(dimethyl)silyl]oxypropan-1-ol
CID 101238862
(2R,3S)-4-[tert-butyl(dimethyl)silyl]oxy-2-prop-1-en-2-ylbutane-1,3-diol
CID 10587455
(2S)-1-[tert-butyl(dimethyl)silyl]oxybutan-2-ol
CID 86606837
(2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropanenitrile
CID 101034537
(2S)-1-[tert-butyl(dimethyl)silyl]oxybut-3-yn-2-ol
CID 20848710
methyl (2S)-2-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-5-trimethylsilylpent-4-ynoate
CID 11199155

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-trimethylsilylpent-4-yne-1,2-diol?
The IUPAC name of (2S,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-trimethylsilylpent-4-yne-1,2-diol (CID 102143532) is (2S,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-trimethylsilylpent-4-yne-1,2-diol.
What is the SMILES notation for (2S,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-trimethylsilylpent-4-yne-1,2-diol?
The canonical SMILES for (2S,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-trimethylsilylpent-4-yne-1,2-diol is CC(C)(C)[Si](C)(C)OC[C@@H](C#C[Si](C)(C)C)[C@H](O)CO.
What is the InChIKey of (2S,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-trimethylsilylpent-4-yne-1,2-diol?
The InChIKey is OIXGLUPUAIWABA-ZIAGYGMSSA-N. The full InChI is InChI=1S/C15H32O3Si2/c1-15(2,3)20(7,8)18-12-13(14(17)11-16)9-10-19(4,5)6/h13-14,16-17H,11-12H2,1-8H3/t13-,14-/m1/s1.
What are the key properties of (2S,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-trimethylsilylpent-4-yne-1,2-diol?
(2S,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-trimethylsilylpent-4-yne-1,2-diol has a molecular weight of 316.59 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-trimethylsilylpent-4-yne-1,2-diol is sourced from PubChem (CID 102143532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).