(3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylpent-1-yn-3-ol

C14H30O2Si2 — CID 11818518

IUPAC(3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylpent-1-yn-3-ol
SMILESC[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)C#C[Si](C)(C)C
InChIInChI=1S/C14H30O2Si2/c1-12(13(15)10-11-17(5,6)7)16-18(8,9)14(2,3)4/h12-13,15H,1-9H3/t12-,13+/m0/s1
InChIKeyRIOWUTKMEHHLGG-QWHCGFSZSA-N
MW286.56 g/mol
LogP3.64
Rot. Bonds3

About (3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylpent-1-yn-3-ol

(3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylpent-1-yn-3-ol (PubChem CID 11818518) has the molecular formula C14H30O2Si2 and a molecular weight of 286.56 g/mol. Its IUPAC name is (3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylpent-1-yn-3-ol.

Molecular Properties

Compound Name(3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylpent-1-yn-3-ol
PubChem CID11818518
Molecular FormulaC14H30O2Si2
Molecular Weight286.56 g/mol
Exact Mass286.18
IUPAC Name(3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylpent-1-yn-3-ol
SMILESC[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)C#C[Si](C)(C)C
InChIInChI=1S/C14H30O2Si2/c1-12(13(15)10-11-17(5,6)7)16-18(8,9)14(2,3)4/h12-13,15H,1-9H3/t12-,13+/m0/s1
InChIKeyRIOWUTKMEHHLGG-QWHCGFSZSA-N
XLogP3.64
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.56
LogP ≤ 53.64
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-butyldimethylsilyl)oxy)propan-2-ol
CID 13175134
(2R)-1-{[(1,1-Dimethylethyl)(dimethyl)silyl]oxy}propan-2-ol
CID 13175135
1-[(Tert-butyldimethylsilyl)oxy]but-3-yn-2-ol
CID 15261877
(S)-1-((Tert-butyldimethylsilyl)oxy)propan-2-OL
CID 13175136
2-([tert-Butyl(dimethyl)silyl]oxy)propan-1-ol
CID 15688070
(2R)-6-[tert-butyl(dimethyl)silyl]oxy-3,3-difluorohex-4-yne-1,2-diol
CID 102039374
6-[Tert-butyl(dimethyl)silyl]oxyhex-3-yn-2-ol
CID 10561360
6-[Tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylhexa-1,4-diyn-3-ol
CID 134970975
(2R)-1-(tert-butyldimethylsilyloxy)butan-2-ol
CID 11321679
(2R)-3-{[tert-Butyl(dimethyl)silyl]oxy}propane-1,2-diol
CID 13552567
(S)-2-(tert-Butyl-dimethyl-silanyloxy)-propan-1-ol
CID 15688069
(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxybutan-2-ol
CID 58012744

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylpent-1-yn-3-ol?
The IUPAC name of (3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylpent-1-yn-3-ol (CID 11818518) is (3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylpent-1-yn-3-ol.
What is the SMILES notation for (3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylpent-1-yn-3-ol?
The canonical SMILES for (3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylpent-1-yn-3-ol is C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)C#C[Si](C)(C)C.
What is the InChIKey of (3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylpent-1-yn-3-ol?
The InChIKey is RIOWUTKMEHHLGG-QWHCGFSZSA-N. The full InChI is InChI=1S/C14H30O2Si2/c1-12(13(15)10-11-17(5,6)7)16-18(8,9)14(2,3)4/h12-13,15H,1-9H3/t12-,13+/m0/s1.
What are the key properties of (3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylpent-1-yn-3-ol?
(3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylpent-1-yn-3-ol has a molecular weight of 286.56 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylpent-1-yn-3-ol is sourced from PubChem (CID 11818518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).