3-ethyl-4-trimethylsilylnon-5-yn-3-ol

C14H28OSi — CID 71412446

IUPAC3-ethyl-4-trimethylsilylnon-5-yn-3-ol
SMILESCCCC#CC(C(O)(CC)CC)[Si](C)(C)C
InChIInChI=1S/C14H28OSi/c1-7-10-11-12-13(16(4,5)6)14(15,8-2)9-3/h13,15H,7-10H2,1-6H3
InChIKeyIPIKFRJIPVFZFR-UHFFFAOYSA-N
MW240.46 g/mol
LogP4.05
Rot. Bonds5

About 3-ethyl-4-trimethylsilylnon-5-yn-3-ol

3-ethyl-4-trimethylsilylnon-5-yn-3-ol (PubChem CID 71412446) has the molecular formula C14H28OSi and a molecular weight of 240.46 g/mol. Its IUPAC name is 3-ethyl-4-trimethylsilylnon-5-yn-3-ol.

Molecular Properties

Compound Name3-ethyl-4-trimethylsilylnon-5-yn-3-ol
PubChem CID71412446
Molecular FormulaC14H28OSi
Molecular Weight240.46 g/mol
Exact Mass240.19
IUPAC Name3-ethyl-4-trimethylsilylnon-5-yn-3-ol
SMILESCCCC#CC(C(O)(CC)CC)[Si](C)(C)C
InChIInChI=1S/C14H28OSi/c1-7-10-11-12-13(16(4,5)6)14(15,8-2)9-3/h13,15H,7-10H2,1-6H3
InChIKeyIPIKFRJIPVFZFR-UHFFFAOYSA-N
XLogP4.05
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.46
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-ethyl-4-trimethylsilylnon-5-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

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-trimethylsilylnon-5-yn-3-ol?
The IUPAC name of 3-ethyl-4-trimethylsilylnon-5-yn-3-ol (CID 71412446) is 3-ethyl-4-trimethylsilylnon-5-yn-3-ol.
What is the SMILES notation for 3-ethyl-4-trimethylsilylnon-5-yn-3-ol?
The canonical SMILES for 3-ethyl-4-trimethylsilylnon-5-yn-3-ol is CCCC#CC(C(O)(CC)CC)[Si](C)(C)C.
What is the InChIKey of 3-ethyl-4-trimethylsilylnon-5-yn-3-ol?
The InChIKey is IPIKFRJIPVFZFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28OSi/c1-7-10-11-12-13(16(4,5)6)14(15,8-2)9-3/h13,15H,7-10H2,1-6H3.
What are the key properties of 3-ethyl-4-trimethylsilylnon-5-yn-3-ol?
3-ethyl-4-trimethylsilylnon-5-yn-3-ol has a molecular weight of 240.46 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-trimethylsilylnon-5-yn-3-ol is sourced from PubChem (CID 71412446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).