(2S,3S)-3-triethylsilyl-1-triethylsilyloxy-5-trimethylsilylpent-4-yn-2-ol

C20H44O2Si3 — CID 162397169

IUPAC(2S,3S)-3-triethylsilyl-1-triethylsilyloxy-5-trimethylsilylpent-4-yn-2-ol
SMILESCC[Si](CC)(CC)OC[C@H](O)[C@H](C#C[Si](C)(C)C)[Si](CC)(CC)CC
InChIInChI=1S/C20H44O2Si3/c1-10-24(11-2,12-3)20(16-17-23(7,8)9)19(21)18-22-25(13-4,14-5)15-6/h19-21H,10-15,18H2,1-9H3/t19-,20-/m0/s1
InChIKeyHJXHOUYAXDUPJA-PMACEKPBSA-N
MW400.83 g/mol
LogP6.13
Rot. Bonds11

About (2S,3S)-3-triethylsilyl-1-triethylsilyloxy-5-trimethylsilylpent-4-yn-2-ol

(2S,3S)-3-triethylsilyl-1-triethylsilyloxy-5-trimethylsilylpent-4-yn-2-ol (PubChem CID 162397169) has the molecular formula C20H44O2Si3 and a molecular weight of 400.83 g/mol. Its IUPAC name is (2S,3S)-3-triethylsilyl-1-triethylsilyloxy-5-trimethylsilylpent-4-yn-2-ol.

Molecular Properties

Compound Name(2S,3S)-3-triethylsilyl-1-triethylsilyloxy-5-trimethylsilylpent-4-yn-2-ol
PubChem CID162397169
Molecular FormulaC20H44O2Si3
Molecular Weight400.83 g/mol
Exact Mass400.26
IUPAC Name(2S,3S)-3-triethylsilyl-1-triethylsilyloxy-5-trimethylsilylpent-4-yn-2-ol
SMILESCC[Si](CC)(CC)OC[C@H](O)[C@H](C#C[Si](C)(C)C)[Si](CC)(CC)CC
InChIInChI=1S/C20H44O2Si3/c1-10-24(11-2,12-3)20(16-17-23(7,8)9)19(21)18-22-25(13-4,14-5)15-6/h19-21H,10-15,18H2,1-9H3/t19-,20-/m0/s1
InChIKeyHJXHOUYAXDUPJA-PMACEKPBSA-N
XLogP6.13
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.83
LogP ≤ 56.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

1-[Tert-butyl(dimethyl)silyl]oxypent-4-yn-2-ol
CID 87178346
5-[Tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylpent-1-yn-3-ol
CID 87256832
(3R,4S)-4-triethylsilyloxy-1-trimethylsilylpent-1-yn-3-ol
CID 11140712
(3S,4S)-7-trimethylsilylhept-6-yne-3,4-diol
CID 11194997
(2S,10S)-2,10-bis[[tert-butyl(dimethyl)silyl]oxy]undeca-4,7-diyn-6-ol
CID 11235617
(2R,3R,4S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]hex-5-yn-2-ol
CID 11360351
(2S,3R,4R)-2-[tert-butyl(dimethyl)silyl]oxy-4-methyl-6-tri(propan-2-yl)silylhex-5-yn-3-ol
CID 11618217
(2R,3R,4R)-2-[tert-butyl(dimethyl)silyl]oxy-4-methyl-6-tri(propan-2-yl)silylhex-5-yn-3-ol
CID 11639893
(3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylpent-1-yn-3-ol
CID 11818518
6-[Tert-butyl(dimethyl)silyl]oxy-1-tri(propan-2-yl)silylhexa-1,4-diyn-3-ol
CID 12027344
(3S)-5-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylpent-1-yn-3-ol
CID 15363416
3-Trimethylsilyloxy-2-tri(propan-2-yl)silylperoxybutan-1-ol
CID 101410809

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-triethylsilyl-1-triethylsilyloxy-5-trimethylsilylpent-4-yn-2-ol?
The IUPAC name of (2S,3S)-3-triethylsilyl-1-triethylsilyloxy-5-trimethylsilylpent-4-yn-2-ol (CID 162397169) is (2S,3S)-3-triethylsilyl-1-triethylsilyloxy-5-trimethylsilylpent-4-yn-2-ol.
What is the SMILES notation for (2S,3S)-3-triethylsilyl-1-triethylsilyloxy-5-trimethylsilylpent-4-yn-2-ol?
The canonical SMILES for (2S,3S)-3-triethylsilyl-1-triethylsilyloxy-5-trimethylsilylpent-4-yn-2-ol is CC[Si](CC)(CC)OC[C@H](O)[C@H](C#C[Si](C)(C)C)[Si](CC)(CC)CC.
What is the InChIKey of (2S,3S)-3-triethylsilyl-1-triethylsilyloxy-5-trimethylsilylpent-4-yn-2-ol?
The InChIKey is HJXHOUYAXDUPJA-PMACEKPBSA-N. The full InChI is InChI=1S/C20H44O2Si3/c1-10-24(11-2,12-3)20(16-17-23(7,8)9)19(21)18-22-25(13-4,14-5)15-6/h19-21H,10-15,18H2,1-9H3/t19-,20-/m0/s1.
What are the key properties of (2S,3S)-3-triethylsilyl-1-triethylsilyloxy-5-trimethylsilylpent-4-yn-2-ol?
(2S,3S)-3-triethylsilyl-1-triethylsilyloxy-5-trimethylsilylpent-4-yn-2-ol has a molecular weight of 400.83 g/mol, XLogP of 6.13, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-triethylsilyl-1-triethylsilyloxy-5-trimethylsilylpent-4-yn-2-ol is sourced from PubChem (CID 162397169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).