4-(2-trimethylsilylethynyl)oct-1-yn-4-ol;trimethyl(trimethylsilyloxy)silane

C19H40O2Si3 — CID 20565068

IUPAC4-(2-trimethylsilylethynyl)oct-1-yn-4-ol;trimethyl(trimethylsilyloxy)silane
SMILESC#CCC(O)(C#C[Si](C)(C)C)CCCC.C[Si](C)(C)O[Si](C)(C)C
InChIInChI=1S/C13H22OSi.C6H18OSi2/c1-6-8-10-13(14,9-7-2)11-12-15(3,4)5;1-8(2,3)7-9(4,5)6/h2,14H,6,8-10H2,1,3-5H3;1-6H3
InChIKeyOJTMTKSJLQVHQF-UHFFFAOYSA-N
MW384.79 g/mol
LogP5.48
Rot. Bonds6

About 4-(2-trimethylsilylethynyl)oct-1-yn-4-ol;trimethyl(trimethylsilyloxy)silane

4-(2-trimethylsilylethynyl)oct-1-yn-4-ol;trimethyl(trimethylsilyloxy)silane (PubChem CID 20565068) has the molecular formula C19H40O2Si3 and a molecular weight of 384.79 g/mol. Its IUPAC name is 4-(2-trimethylsilylethynyl)oct-1-yn-4-ol;trimethyl(trimethylsilyloxy)silane.

Molecular Properties

Compound Name4-(2-trimethylsilylethynyl)oct-1-yn-4-ol;trimethyl(trimethylsilyloxy)silane
PubChem CID20565068
Molecular FormulaC19H40O2Si3
Molecular Weight384.79 g/mol
Exact Mass384.23
IUPAC Name4-(2-trimethylsilylethynyl)oct-1-yn-4-ol;trimethyl(trimethylsilyloxy)silane
SMILESC#CCC(O)(C#C[Si](C)(C)C)CCCC.C[Si](C)(C)O[Si](C)(C)C
InChIInChI=1S/C13H22OSi.C6H18OSi2/c1-6-8-10-13(14,9-7-2)11-12-15(3,4)5;1-8(2,3)7-9(4,5)6/h2,14H,6,8-10H2,1,3-5H3;1-6H3
InChIKeyOJTMTKSJLQVHQF-UHFFFAOYSA-N
XLogP5.48
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.79
LogP ≤ 55.48
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 4-(2-trimethylsilylethynyl)oct-1-yn-4-ol;trimethyl(trimethylsilyloxy)silane with MolForge

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

Launch Full Analysis

Related Compounds

3,3'-Dimethyl-3,3'-bis-(tert-butyldimethylsilyloxy)-octa-1,1'-diyne
CID 11825400
3-Ethyl-5,7-bis(trimethylsilyl)hept-6-yn-3-ol
CID 166442138
tert-butyl-dimethyl-[(4S)-4-methyl-1-trimethylsilylocta-1,7-diyn-4-yl]oxysilane
CID 11623966
Tert-butyl-[11-[tert-butyl(dimethyl)silyl]oxy-1,11-dimethylcyclotrideca-2,9-diyn-1-yl]oxy-dimethylsilane
CID 102069974
4-Trimethylsilylethynyl-1-octyn-4-ol
CID 12786193
Triethyl(4-ethyloct-1-yn-4-yloxy)silane
CID 54243911
4-Trimethylsilylethynyl-1-octyn-4-ol trimethylsilyl ether
CID 57233077
4-[Tert-butyl(dimethyl)silyl]oxy-4-ethyloct-2-yn-1-ol
CID 85825714
4-Methyl-1-triethylsilyloct-1-yn-4-ol
CID 85976280
Bis(ethenyl)-methyl-trimethylsilyloxysilane;1-ethynylcyclohexan-1-ol
CID 88009525
4-Methyloct-1-yn-4-ol;triethyl(triethylsilyloxy)silane
CID 88799774
(4S)-4-methyl-1-triethylsilyloct-1-yn-4-ol
CID 88832509

Frequently Asked Questions

What is the IUPAC name of 4-(2-trimethylsilylethynyl)oct-1-yn-4-ol;trimethyl(trimethylsilyloxy)silane?
The IUPAC name of 4-(2-trimethylsilylethynyl)oct-1-yn-4-ol;trimethyl(trimethylsilyloxy)silane (CID 20565068) is 4-(2-trimethylsilylethynyl)oct-1-yn-4-ol;trimethyl(trimethylsilyloxy)silane.
What is the SMILES notation for 4-(2-trimethylsilylethynyl)oct-1-yn-4-ol;trimethyl(trimethylsilyloxy)silane?
The canonical SMILES for 4-(2-trimethylsilylethynyl)oct-1-yn-4-ol;trimethyl(trimethylsilyloxy)silane is C#CCC(O)(C#C[Si](C)(C)C)CCCC.C[Si](C)(C)O[Si](C)(C)C.
What is the InChIKey of 4-(2-trimethylsilylethynyl)oct-1-yn-4-ol;trimethyl(trimethylsilyloxy)silane?
The InChIKey is OJTMTKSJLQVHQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22OSi.C6H18OSi2/c1-6-8-10-13(14,9-7-2)11-12-15(3,4)5;1-8(2,3)7-9(4,5)6/h2,14H,6,8-10H2,1,3-5H3;1-6H3.
What are the key properties of 4-(2-trimethylsilylethynyl)oct-1-yn-4-ol;trimethyl(trimethylsilyloxy)silane?
4-(2-trimethylsilylethynyl)oct-1-yn-4-ol;trimethyl(trimethylsilyloxy)silane has a molecular weight of 384.79 g/mol, XLogP of 5.48, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-trimethylsilylethynyl)oct-1-yn-4-ol;trimethyl(trimethylsilyloxy)silane is sourced from PubChem (CID 20565068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).