(2S,3S)-3-triethylsilylpent-4-yne-1,2-diol

C11H22O2Si — CID 162397168

IUPAC(2S,3S)-3-triethylsilylpent-4-yne-1,2-diol
SMILESC#C[C@@H]([C@@H](O)CO)[Si](CC)(CC)CC
InChIInChI=1S/C11H22O2Si/c1-5-11(10(13)9-12)14(6-2,7-3)8-4/h1,10-13H,6-9H2,2-4H3/t10-,11-/m0/s1
InChIKeyXPBXPRUKHXTYTO-QWRGUYRKSA-N
MW214.38 g/mol
LogP1.85
Rot. Bonds6

About (2S,3S)-3-triethylsilylpent-4-yne-1,2-diol

(2S,3S)-3-triethylsilylpent-4-yne-1,2-diol (PubChem CID 162397168) has the molecular formula C11H22O2Si and a molecular weight of 214.38 g/mol. Its IUPAC name is (2S,3S)-3-triethylsilylpent-4-yne-1,2-diol.

Molecular Properties

Compound Name(2S,3S)-3-triethylsilylpent-4-yne-1,2-diol
PubChem CID162397168
Molecular FormulaC11H22O2Si
Molecular Weight214.38 g/mol
Exact Mass214.14
IUPAC Name(2S,3S)-3-triethylsilylpent-4-yne-1,2-diol
SMILESC#C[C@@H]([C@@H](O)CO)[Si](CC)(CC)CC
InChIInChI=1S/C11H22O2Si/c1-5-11(10(13)9-12)14(6-2,7-3)8-4/h1,10-13H,6-9H2,2-4H3/t10-,11-/m0/s1
InChIKeyXPBXPRUKHXTYTO-QWRGUYRKSA-N
XLogP1.85
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.38
LogP ≤ 51.85
H-Bond Donors ≤ 52
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]but-3-yn-2-ol
CID 15261877
1-Trimethylsilylpent-1-yn-3-ol
CID 357809
5-Trimethylsilylpent-4-yn-2-ol
CID 11073669
(3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-yn-1-ol
CID 15689854
1-[Tert-butyl(dimethyl)silyl]oxypent-4-yn-2-ol
CID 87178346
1,3-Heptadiyn-6-ol, 1-trimethylsilyl-
CID 552979
1-Pentyn-3-ol, 5-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-
CID 10242363
(3R,4S)-4-triethylsilyloxy-1-trimethylsilylpent-1-yn-3-ol
CID 11140712
(3S,4S)-7-trimethylsilylhept-6-yne-3,4-diol
CID 11194997
(3R)-1-tri(propan-2-yl)silylpent-1-yn-3-ol
CID 11390823
(3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylpent-1-yn-3-ol
CID 11818518
1-(Trimethylsilyl)hex-1-yn-3-ol
CID 12748619

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-triethylsilylpent-4-yne-1,2-diol?
The IUPAC name of (2S,3S)-3-triethylsilylpent-4-yne-1,2-diol (CID 162397168) is (2S,3S)-3-triethylsilylpent-4-yne-1,2-diol.
What is the SMILES notation for (2S,3S)-3-triethylsilylpent-4-yne-1,2-diol?
The canonical SMILES for (2S,3S)-3-triethylsilylpent-4-yne-1,2-diol is C#C[C@@H]([C@@H](O)CO)[Si](CC)(CC)CC.
What is the InChIKey of (2S,3S)-3-triethylsilylpent-4-yne-1,2-diol?
The InChIKey is XPBXPRUKHXTYTO-QWRGUYRKSA-N. The full InChI is InChI=1S/C11H22O2Si/c1-5-11(10(13)9-12)14(6-2,7-3)8-4/h1,10-13H,6-9H2,2-4H3/t10-,11-/m0/s1.
What are the key properties of (2S,3S)-3-triethylsilylpent-4-yne-1,2-diol?
(2S,3S)-3-triethylsilylpent-4-yne-1,2-diol has a molecular weight of 214.38 g/mol, XLogP of 1.85, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-triethylsilylpent-4-yne-1,2-diol is sourced from PubChem (CID 162397168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).