methyl (5R)-7-[hydroxy(dimethyl)silyl]-7-methyl-5-(2-trimethylsilylethynyl)octanoate

C17H34O3Si2 — CID 88967972

IUPACmethyl (5R)-7-[hydroxy(dimethyl)silyl]-7-methyl-5-(2-trimethylsilylethynyl)octanoate
SMILESCOC(=O)CCC[C@@H](C#C[Si](C)(C)C)CC(C)(C)[Si](C)(C)O
InChIInChI=1S/C17H34O3Si2/c1-17(2,22(7,8)19)14-15(12-13-21(4,5)6)10-9-11-16(18)20-3/h15,19H,9-11,14H2,1-8H3/t15-/m0/s1
InChIKeyINIVSHCYPGLXAT-HNNXBMFYSA-N
MW342.63 g/mol
LogP4.19
Rot. Bonds7

About methyl (5R)-7-[hydroxy(dimethyl)silyl]-7-methyl-5-(2-trimethylsilylethynyl)octanoate

methyl (5R)-7-[hydroxy(dimethyl)silyl]-7-methyl-5-(2-trimethylsilylethynyl)octanoate (PubChem CID 88967972) has the molecular formula C17H34O3Si2 and a molecular weight of 342.63 g/mol. Its IUPAC name is methyl (5R)-7-[hydroxy(dimethyl)silyl]-7-methyl-5-(2-trimethylsilylethynyl)octanoate.

Molecular Properties

Compound Namemethyl (5R)-7-[hydroxy(dimethyl)silyl]-7-methyl-5-(2-trimethylsilylethynyl)octanoate
PubChem CID88967972
Molecular FormulaC17H34O3Si2
Molecular Weight342.63 g/mol
Exact Mass342.20
IUPAC Namemethyl (5R)-7-[hydroxy(dimethyl)silyl]-7-methyl-5-(2-trimethylsilylethynyl)octanoate
SMILESCOC(=O)CCC[C@@H](C#C[Si](C)(C)C)CC(C)(C)[Si](C)(C)O
InChIInChI=1S/C17H34O3Si2/c1-17(2,22(7,8)19)14-15(12-13-21(4,5)6)10-9-11-16(18)20-3/h15,19H,9-11,14H2,1-8H3/t15-/m0/s1
InChIKeyINIVSHCYPGLXAT-HNNXBMFYSA-N
XLogP4.19
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.63
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze methyl (5R)-7-[hydroxy(dimethyl)silyl]-7-methyl-5-(2-trimethylsilylethynyl)octanoate 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 methyl (5R)-7-[hydroxy(dimethyl)silyl]-7-methyl-5-(2-trimethylsilylethynyl)octanoate?
The IUPAC name of methyl (5R)-7-[hydroxy(dimethyl)silyl]-7-methyl-5-(2-trimethylsilylethynyl)octanoate (CID 88967972) is methyl (5R)-7-[hydroxy(dimethyl)silyl]-7-methyl-5-(2-trimethylsilylethynyl)octanoate.
What is the SMILES notation for methyl (5R)-7-[hydroxy(dimethyl)silyl]-7-methyl-5-(2-trimethylsilylethynyl)octanoate?
The canonical SMILES for methyl (5R)-7-[hydroxy(dimethyl)silyl]-7-methyl-5-(2-trimethylsilylethynyl)octanoate is COC(=O)CCC[C@@H](C#C[Si](C)(C)C)CC(C)(C)[Si](C)(C)O.
What is the InChIKey of methyl (5R)-7-[hydroxy(dimethyl)silyl]-7-methyl-5-(2-trimethylsilylethynyl)octanoate?
The InChIKey is INIVSHCYPGLXAT-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H34O3Si2/c1-17(2,22(7,8)19)14-15(12-13-21(4,5)6)10-9-11-16(18)20-3/h15,19H,9-11,14H2,1-8H3/t15-/m0/s1.
What are the key properties of methyl (5R)-7-[hydroxy(dimethyl)silyl]-7-methyl-5-(2-trimethylsilylethynyl)octanoate?
methyl (5R)-7-[hydroxy(dimethyl)silyl]-7-methyl-5-(2-trimethylsilylethynyl)octanoate has a molecular weight of 342.63 g/mol, XLogP of 4.19, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (5R)-7-[hydroxy(dimethyl)silyl]-7-methyl-5-(2-trimethylsilylethynyl)octanoate is sourced from PubChem (CID 88967972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).