10-trimethylsilyldeca-5,7,9-triynoic acid

C13H16O2Si — CID 154494507

IUPAC10-trimethylsilyldeca-5,7,9-triynoic acid
SMILESC[Si](C)(C)C#CC#CC#CCCCC(=O)O
InChIInChI=1S/C13H16O2Si/c1-16(2,3)12-10-8-6-4-5-7-9-11-13(14)15/h7,9,11H2,1-3H3,(H,14,15)
InChIKeyRAAZIZSGDXVGEK-UHFFFAOYSA-N
MW232.35 g/mol
LogP2.13
Rot. Bonds3

About 10-trimethylsilyldeca-5,7,9-triynoic acid

10-trimethylsilyldeca-5,7,9-triynoic acid (PubChem CID 154494507) has the molecular formula C13H16O2Si and a molecular weight of 232.35 g/mol. Its IUPAC name is 10-trimethylsilyldeca-5,7,9-triynoic acid.

Molecular Properties

Compound Name10-trimethylsilyldeca-5,7,9-triynoic acid
PubChem CID154494507
Molecular FormulaC13H16O2Si
Molecular Weight232.35 g/mol
Exact Mass232.09
IUPAC Name10-trimethylsilyldeca-5,7,9-triynoic acid
SMILESC[Si](C)(C)C#CC#CC#CCCCC(=O)O
InChIInChI=1S/C13H16O2Si/c1-16(2,3)12-10-8-6-4-5-7-9-11-13(14)15/h7,9,11H2,1-3H3,(H,14,15)
InChIKeyRAAZIZSGDXVGEK-UHFFFAOYSA-N
XLogP2.13
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 52.13
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 10-trimethylsilyldeca-5,7,9-triynoic acid 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

tricosa-10,12-diynedioic acid
CID 3516470
trimethyl(octa-1,3-diynyl)silane
CID 12618051
heptacosa-10,12,17-triynedioic acid
CID 4107670
octadeca-8,10-diynoic acid
CID 5312666
hexacosa-11,13-diynoic acid
CID 71349846
pentacosa-6,8-diynoic acid
CID 101012403
hentriaconta-12,14-diynoic acid
CID 134916943
hexadeca-11,13-diynoic acid
CID 87556166
heptadeca-6,8-diynoic acid
CID 86161368
nonadeca-10,12-diynoic acid
CID 89160943
16-hydroxyheptadeca-10,12,14-triynoic acid
CID 24740384
docosa-4,6-diynoic acid
CID 155657987

Frequently Asked Questions

What is the IUPAC name of 10-trimethylsilyldeca-5,7,9-triynoic acid?
The IUPAC name of 10-trimethylsilyldeca-5,7,9-triynoic acid (CID 154494507) is 10-trimethylsilyldeca-5,7,9-triynoic acid.
What is the SMILES notation for 10-trimethylsilyldeca-5,7,9-triynoic acid?
The canonical SMILES for 10-trimethylsilyldeca-5,7,9-triynoic acid is C[Si](C)(C)C#CC#CC#CCCCC(=O)O.
What is the InChIKey of 10-trimethylsilyldeca-5,7,9-triynoic acid?
The InChIKey is RAAZIZSGDXVGEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O2Si/c1-16(2,3)12-10-8-6-4-5-7-9-11-13(14)15/h7,9,11H2,1-3H3,(H,14,15).
What are the key properties of 10-trimethylsilyldeca-5,7,9-triynoic acid?
10-trimethylsilyldeca-5,7,9-triynoic acid has a molecular weight of 232.35 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-trimethylsilyldeca-5,7,9-triynoic acid is sourced from PubChem (CID 154494507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).