(E,2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-(2-trimethylsilylethynyl)hex-3-en-5-yn-2-ol

C17H30O2Si2 — CID 11163077

IUPAC(E,2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-(2-trimethylsilylethynyl)hex-3-en-5-yn-2-ol
SMILESC#C/C=C(\C#C[Si](C)(C)C)[C@H](O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H30O2Si2/c1-10-11-15(12-13-20(5,6)7)16(18)14-19-21(8,9)17(2,3)4/h1,11,16,18H,14H2,2-9H3/b15-11+/t16-/m1/s1
InChIKeyHKSPTFPBMNGAQF-RBFDBLARSA-N
MW322.60 g/mol
LogP3.81
Rot. Bonds4

About (E,2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-(2-trimethylsilylethynyl)hex-3-en-5-yn-2-ol

(E,2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-(2-trimethylsilylethynyl)hex-3-en-5-yn-2-ol (PubChem CID 11163077) has the molecular formula C17H30O2Si2 and a molecular weight of 322.60 g/mol. Its IUPAC name is (E,2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-(2-trimethylsilylethynyl)hex-3-en-5-yn-2-ol.

Molecular Properties

Compound Name(E,2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-(2-trimethylsilylethynyl)hex-3-en-5-yn-2-ol
PubChem CID11163077
Molecular FormulaC17H30O2Si2
Molecular Weight322.60 g/mol
Exact Mass322.18
IUPAC Name(E,2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-(2-trimethylsilylethynyl)hex-3-en-5-yn-2-ol
SMILESC#C/C=C(\C#C[Si](C)(C)C)[C@H](O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H30O2Si2/c1-10-11-15(12-13-20(5,6)7)16(18)14-19-21(8,9)17(2,3)4/h1,11,16,18H,14H2,2-9H3/b15-11+/t16-/m1/s1
InChIKeyHKSPTFPBMNGAQF-RBFDBLARSA-N
XLogP3.81
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.60
LogP ≤ 53.81
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'}

Analyze (E,2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-(2-trimethylsilylethynyl)hex-3-en-5-yn-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E,2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-(2-trimethylsilylethynyl)hex-3-en-5-yn-2-ol?
The IUPAC name of (E,2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-(2-trimethylsilylethynyl)hex-3-en-5-yn-2-ol (CID 11163077) is (E,2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-(2-trimethylsilylethynyl)hex-3-en-5-yn-2-ol.
What is the SMILES notation for (E,2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-(2-trimethylsilylethynyl)hex-3-en-5-yn-2-ol?
The canonical SMILES for (E,2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-(2-trimethylsilylethynyl)hex-3-en-5-yn-2-ol is C#C/C=C(\C#C[Si](C)(C)C)[C@H](O)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (E,2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-(2-trimethylsilylethynyl)hex-3-en-5-yn-2-ol?
The InChIKey is HKSPTFPBMNGAQF-RBFDBLARSA-N. The full InChI is InChI=1S/C17H30O2Si2/c1-10-11-15(12-13-20(5,6)7)16(18)14-19-21(8,9)17(2,3)4/h1,11,16,18H,14H2,2-9H3/b15-11+/t16-/m1/s1.
What are the key properties of (E,2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-(2-trimethylsilylethynyl)hex-3-en-5-yn-2-ol?
(E,2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-(2-trimethylsilylethynyl)hex-3-en-5-yn-2-ol has a molecular weight of 322.60 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-(2-trimethylsilylethynyl)hex-3-en-5-yn-2-ol is sourced from PubChem (CID 11163077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).