[(3R)-1-trimethylsilylnon-1-yn-3-yl] acetate

C14H26O2Si — CID 71613021

IUPAC[(3R)-1-trimethylsilylnon-1-yn-3-yl] acetate
SMILESCCCCCC[C@H](C#C[Si](C)(C)C)OC(C)=O
InChIInChI=1S/C14H26O2Si/c1-6-7-8-9-10-14(16-13(2)15)11-12-17(3,4)5/h14H,6-10H2,1-5H3/t14-/m1/s1
InChIKeyCHHDFLMVQLNQQL-CQSZACIVSA-N
MW254.45 g/mol
LogP3.77
Rot. Bonds6

About [(3R)-1-trimethylsilylnon-1-yn-3-yl] acetate

[(3R)-1-trimethylsilylnon-1-yn-3-yl] acetate (PubChem CID 71613021) has the molecular formula C14H26O2Si and a molecular weight of 254.45 g/mol. Its IUPAC name is [(3R)-1-trimethylsilylnon-1-yn-3-yl] acetate.

Molecular Properties

Compound Name[(3R)-1-trimethylsilylnon-1-yn-3-yl] acetate
PubChem CID71613021
Molecular FormulaC14H26O2Si
Molecular Weight254.45 g/mol
Exact Mass254.17
IUPAC Name[(3R)-1-trimethylsilylnon-1-yn-3-yl] acetate
SMILESCCCCCC[C@H](C#C[Si](C)(C)C)OC(C)=O
InChIInChI=1S/C14H26O2Si/c1-6-7-8-9-10-14(16-13(2)15)11-12-17(3,4)5/h14H,6-10H2,1-5H3/t14-/m1/s1
InChIKeyCHHDFLMVQLNQQL-CQSZACIVSA-N
XLogP3.77
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.45
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 [(3R)-1-trimethylsilylnon-1-yn-3-yl] acetate 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 [(3R)-1-trimethylsilylnon-1-yn-3-yl] acetate?
The IUPAC name of [(3R)-1-trimethylsilylnon-1-yn-3-yl] acetate (CID 71613021) is [(3R)-1-trimethylsilylnon-1-yn-3-yl] acetate.
What is the SMILES notation for [(3R)-1-trimethylsilylnon-1-yn-3-yl] acetate?
The canonical SMILES for [(3R)-1-trimethylsilylnon-1-yn-3-yl] acetate is CCCCCC[C@H](C#C[Si](C)(C)C)OC(C)=O.
What is the InChIKey of [(3R)-1-trimethylsilylnon-1-yn-3-yl] acetate?
The InChIKey is CHHDFLMVQLNQQL-CQSZACIVSA-N. The full InChI is InChI=1S/C14H26O2Si/c1-6-7-8-9-10-14(16-13(2)15)11-12-17(3,4)5/h14H,6-10H2,1-5H3/t14-/m1/s1.
What are the key properties of [(3R)-1-trimethylsilylnon-1-yn-3-yl] acetate?
[(3R)-1-trimethylsilylnon-1-yn-3-yl] acetate has a molecular weight of 254.45 g/mol, XLogP of 3.77, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-trimethylsilylnon-1-yn-3-yl] acetate is sourced from PubChem (CID 71613021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).