3-methyl-1-trimethylsilyloct-1-yn-3-ol

C12H24OSi — CID 23389309

IUPAC3-methyl-1-trimethylsilyloct-1-yn-3-ol
SMILESCCCCCC(C)(O)C#C[Si](C)(C)C
InChIInChI=1S/C12H24OSi/c1-6-7-8-9-12(2,13)10-11-14(3,4)5/h13H,6-9H2,1-5H3
InChIKeyZICONELITBRNND-UHFFFAOYSA-N
MW212.41 g/mol
LogP3.20
Rot. Bonds4

About 3-methyl-1-trimethylsilyloct-1-yn-3-ol

3-methyl-1-trimethylsilyloct-1-yn-3-ol (PubChem CID 23389309) has the molecular formula C12H24OSi and a molecular weight of 212.41 g/mol. Its IUPAC name is 3-methyl-1-trimethylsilyloct-1-yn-3-ol.

Molecular Properties

Compound Name3-methyl-1-trimethylsilyloct-1-yn-3-ol
PubChem CID23389309
Molecular FormulaC12H24OSi
Molecular Weight212.41 g/mol
Exact Mass212.16
IUPAC Name3-methyl-1-trimethylsilyloct-1-yn-3-ol
SMILESCCCCCC(C)(O)C#C[Si](C)(C)C
InChIInChI=1S/C12H24OSi/c1-6-7-8-9-12(2,13)10-11-14(3,4)5/h13H,6-9H2,1-5H3
InChIKeyZICONELITBRNND-UHFFFAOYSA-N
XLogP3.20
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.41
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 3-methyl-1-trimethylsilyloct-1-yn-3-ol 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

1-Trimethylsilanylethynyl-cyclohexanol
CID 205445
5-(2-Trimethylsilylethynyl)nonan-5-ol
CID 12125188
1-(Trimethylsilyl)-3-methyl-1-nonyn-3-ol
CID 15649677
2-Fluoro-1-(2-trimethylsilylethynyl)cyclohexan-1-ol
CID 70075127
1-(3-Methyl-3-trimethylsilylbut-1-ynyl)cyclohexan-1-ol
CID 10243305
Cyclohexanol, 1-[3-(trimethylsilyl)-1-propynyl]-
CID 10856759
2-Methyl-4-trimethylsilylheptan-2-ol
CID 85843087
6-Methyltridec-7-yn-6-ol
CID 10353086
4-Propyl-1-(trimethylsilyl)-1-heptyn-4-ol
CID 12653261
4-Trimethylsilylethynyl-1-octyn-4-ol
CID 12786193
1-[2-(Trimethylsilyl)ethynyl]cyclopentan-1-ol
CID 15699925
4-Methylnon-2-yn-4-ol
CID 20430986

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-trimethylsilyloct-1-yn-3-ol?
The IUPAC name of 3-methyl-1-trimethylsilyloct-1-yn-3-ol (CID 23389309) is 3-methyl-1-trimethylsilyloct-1-yn-3-ol.
What is the SMILES notation for 3-methyl-1-trimethylsilyloct-1-yn-3-ol?
The canonical SMILES for 3-methyl-1-trimethylsilyloct-1-yn-3-ol is CCCCCC(C)(O)C#C[Si](C)(C)C.
What is the InChIKey of 3-methyl-1-trimethylsilyloct-1-yn-3-ol?
The InChIKey is ZICONELITBRNND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24OSi/c1-6-7-8-9-12(2,13)10-11-14(3,4)5/h13H,6-9H2,1-5H3.
What are the key properties of 3-methyl-1-trimethylsilyloct-1-yn-3-ol?
3-methyl-1-trimethylsilyloct-1-yn-3-ol has a molecular weight of 212.41 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-trimethylsilyloct-1-yn-3-ol is sourced from PubChem (CID 23389309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).