3-methyl-1-trimethylsilyltridec-1-yn-3-ol

C17H34OSi — CID 10564881

IUPAC3-methyl-1-trimethylsilyltridec-1-yn-3-ol
SMILESCCCCCCCCCCC(C)(O)C#C[Si](C)(C)C
InChIInChI=1S/C17H34OSi/c1-6-7-8-9-10-11-12-13-14-17(2,18)15-16-19(3,4)5/h18H,6-14H2,1-5H3
InChIKeyCLVBLKVSTYSBEE-UHFFFAOYSA-N
MW282.54 g/mol
LogP5.15
Rot. Bonds9

About 3-methyl-1-trimethylsilyltridec-1-yn-3-ol

3-methyl-1-trimethylsilyltridec-1-yn-3-ol (PubChem CID 10564881) has the molecular formula C17H34OSi and a molecular weight of 282.54 g/mol. Its IUPAC name is 3-methyl-1-trimethylsilyltridec-1-yn-3-ol.

Molecular Properties

Compound Name3-methyl-1-trimethylsilyltridec-1-yn-3-ol
PubChem CID10564881
Molecular FormulaC17H34OSi
Molecular Weight282.54 g/mol
Exact Mass282.24
IUPAC Name3-methyl-1-trimethylsilyltridec-1-yn-3-ol
SMILESCCCCCCCCCCC(C)(O)C#C[Si](C)(C)C
InChIInChI=1S/C17H34OSi/c1-6-7-8-9-10-11-12-13-14-17(2,18)15-16-19(3,4)5/h18H,6-14H2,1-5H3
InChIKeyCLVBLKVSTYSBEE-UHFFFAOYSA-N
XLogP5.15
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.54
LogP ≤ 55.15
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-trimethylsilyltridec-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

10,13-Dimethyl-11-docosyne-10,13-diol
CID 221270
8-Hexadecyne-7,10-diol, 7,10-dimethyl-
CID 221264
5-(2-Trimethylsilylethynyl)nonan-5-ol
CID 12125188
1-(Trimethylsilyl)-3-methyl-1-nonyn-3-ol
CID 15649677
9-Octadecyne-8,11-diol, 8,11-dimethyl-
CID 225159
7-Hydroxy-7-methyl-8-pentaeicosyne
CID 12021603
6-(2-Trimethylsilylethyl)undecan-6-ol
CID 15786604
1-Hydroxy-1-octadecynylcyclododecane
CID 85827027
17-Methyl-1-trimethylsilylpentacos-1-yn-3-ol
CID 91252750
trans-(1R,2R)-1-nonyl-2-trimethylsilylcyclopropan-1-ol
CID 101091247
(3S,4R)-2-methyl-4-(2-trimethylsilylethynyl)undecan-3-ol
CID 102080041
2-Methyleicosa-9,11,13-triyn-2-ol
CID 129752735

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-trimethylsilyltridec-1-yn-3-ol?
The IUPAC name of 3-methyl-1-trimethylsilyltridec-1-yn-3-ol (CID 10564881) is 3-methyl-1-trimethylsilyltridec-1-yn-3-ol.
What is the SMILES notation for 3-methyl-1-trimethylsilyltridec-1-yn-3-ol?
The canonical SMILES for 3-methyl-1-trimethylsilyltridec-1-yn-3-ol is CCCCCCCCCCC(C)(O)C#C[Si](C)(C)C.
What is the InChIKey of 3-methyl-1-trimethylsilyltridec-1-yn-3-ol?
The InChIKey is CLVBLKVSTYSBEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34OSi/c1-6-7-8-9-10-11-12-13-14-17(2,18)15-16-19(3,4)5/h18H,6-14H2,1-5H3.
What are the key properties of 3-methyl-1-trimethylsilyltridec-1-yn-3-ol?
3-methyl-1-trimethylsilyltridec-1-yn-3-ol has a molecular weight of 282.54 g/mol, XLogP of 5.15, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-trimethylsilyltridec-1-yn-3-ol is sourced from PubChem (CID 10564881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).