4-(2-trimethylsilylethynyl)nonan-4-ol

C14H28OSi — CID 54425784

IUPAC4-(2-trimethylsilylethynyl)nonan-4-ol
SMILESCCCCCC(O)(C#C[Si](C)(C)C)CCC
InChIInChI=1S/C14H28OSi/c1-6-8-9-11-14(15,10-7-2)12-13-16(3,4)5/h15H,6-11H2,1-5H3
InChIKeyDNNCQBMWWIFLMB-UHFFFAOYSA-N
MW240.46 g/mol
LogP3.98
Rot. Bonds6

About 4-(2-trimethylsilylethynyl)nonan-4-ol

4-(2-trimethylsilylethynyl)nonan-4-ol (PubChem CID 54425784) has the molecular formula C14H28OSi and a molecular weight of 240.46 g/mol. Its IUPAC name is 4-(2-trimethylsilylethynyl)nonan-4-ol.

Molecular Properties

Compound Name4-(2-trimethylsilylethynyl)nonan-4-ol
PubChem CID54425784
Molecular FormulaC14H28OSi
Molecular Weight240.46 g/mol
Exact Mass240.19
IUPAC Name4-(2-trimethylsilylethynyl)nonan-4-ol
SMILESCCCCCC(O)(C#C[Si](C)(C)C)CCC
InChIInChI=1S/C14H28OSi/c1-6-8-9-11-14(15,10-7-2)12-13-16(3,4)5/h15H,6-11H2,1-5H3
InChIKeyDNNCQBMWWIFLMB-UHFFFAOYSA-N
XLogP3.98
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.46
LogP ≤ 53.98
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 4-(2-trimethylsilylethynyl)nonan-4-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
4-Methylnon-1-yn-4-ol
CID 20442065
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
1-(2-Trimethylsilylethyl)cyclohexan-1-ol
CID 12937314
6-(2-Trimethylsilylethyl)undecan-6-ol
CID 15786604
2-Methyl-4-trimethylsilylheptan-2-ol
CID 85843087
1-[2,4-Bis(trimethylsilyl)but-3-ynyl]cyclopentan-1-ol
CID 166438594
1-Prop-1-ynylcyclododecan-1-ol
CID 12081702

Frequently Asked Questions

What is the IUPAC name of 4-(2-trimethylsilylethynyl)nonan-4-ol?
The IUPAC name of 4-(2-trimethylsilylethynyl)nonan-4-ol (CID 54425784) is 4-(2-trimethylsilylethynyl)nonan-4-ol.
What is the SMILES notation for 4-(2-trimethylsilylethynyl)nonan-4-ol?
The canonical SMILES for 4-(2-trimethylsilylethynyl)nonan-4-ol is CCCCCC(O)(C#C[Si](C)(C)C)CCC.
What is the InChIKey of 4-(2-trimethylsilylethynyl)nonan-4-ol?
The InChIKey is DNNCQBMWWIFLMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28OSi/c1-6-8-9-11-14(15,10-7-2)12-13-16(3,4)5/h15H,6-11H2,1-5H3.
What are the key properties of 4-(2-trimethylsilylethynyl)nonan-4-ol?
4-(2-trimethylsilylethynyl)nonan-4-ol has a molecular weight of 240.46 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-trimethylsilylethynyl)nonan-4-ol is sourced from PubChem (CID 54425784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).