4,8-dimethyl-3-phenylsulfanyl-1-trimethylsilylnon-1-yn-5-ol

C20H32OSSi — CID 10545698

IUPAC4,8-dimethyl-3-phenylsulfanyl-1-trimethylsilylnon-1-yn-5-ol
SMILESCC(C)CCC(O)C(C)C(C#C[Si](C)(C)C)Sc1ccccc1
InChIInChI=1S/C20H32OSSi/c1-16(2)12-13-19(21)17(3)20(14-15-23(4,5)6)22-18-10-8-7-9-11-18/h7-11,16-17,19-21H,12-13H2,1-6H3
InChIKeyWHEPZXHEVJACPM-UHFFFAOYSA-N
MW348.63 g/mol
LogP5.46
Rot. Bonds7

About 4,8-dimethyl-3-phenylsulfanyl-1-trimethylsilylnon-1-yn-5-ol

4,8-dimethyl-3-phenylsulfanyl-1-trimethylsilylnon-1-yn-5-ol (PubChem CID 10545698) has the molecular formula C20H32OSSi and a molecular weight of 348.63 g/mol. Its IUPAC name is 4,8-dimethyl-3-phenylsulfanyl-1-trimethylsilylnon-1-yn-5-ol.

Molecular Properties

Compound Name4,8-dimethyl-3-phenylsulfanyl-1-trimethylsilylnon-1-yn-5-ol
PubChem CID10545698
Molecular FormulaC20H32OSSi
Molecular Weight348.63 g/mol
Exact Mass348.19
IUPAC Name4,8-dimethyl-3-phenylsulfanyl-1-trimethylsilylnon-1-yn-5-ol
SMILESCC(C)CCC(O)C(C)C(C#C[Si](C)(C)C)Sc1ccccc1
InChIInChI=1S/C20H32OSSi/c1-16(2)12-13-19(21)17(3)20(14-15-23(4,5)6)22-18-10-8-7-9-11-18/h7-11,16-17,19-21H,12-13H2,1-6H3
InChIKeyWHEPZXHEVJACPM-UHFFFAOYSA-N
XLogP5.46
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.63
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4,8-dimethyl-3-phenylsulfanyl-1-trimethylsilylnon-1-yn-5-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 4,8-dimethyl-3-phenylsulfanyl-1-trimethylsilylnon-1-yn-5-ol?
The IUPAC name of 4,8-dimethyl-3-phenylsulfanyl-1-trimethylsilylnon-1-yn-5-ol (CID 10545698) is 4,8-dimethyl-3-phenylsulfanyl-1-trimethylsilylnon-1-yn-5-ol.
What is the SMILES notation for 4,8-dimethyl-3-phenylsulfanyl-1-trimethylsilylnon-1-yn-5-ol?
The canonical SMILES for 4,8-dimethyl-3-phenylsulfanyl-1-trimethylsilylnon-1-yn-5-ol is CC(C)CCC(O)C(C)C(C#C[Si](C)(C)C)Sc1ccccc1.
What is the InChIKey of 4,8-dimethyl-3-phenylsulfanyl-1-trimethylsilylnon-1-yn-5-ol?
The InChIKey is WHEPZXHEVJACPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32OSSi/c1-16(2)12-13-19(21)17(3)20(14-15-23(4,5)6)22-18-10-8-7-9-11-18/h7-11,16-17,19-21H,12-13H2,1-6H3.
What are the key properties of 4,8-dimethyl-3-phenylsulfanyl-1-trimethylsilylnon-1-yn-5-ol?
4,8-dimethyl-3-phenylsulfanyl-1-trimethylsilylnon-1-yn-5-ol has a molecular weight of 348.63 g/mol, XLogP of 5.46, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,8-dimethyl-3-phenylsulfanyl-1-trimethylsilylnon-1-yn-5-ol is sourced from PubChem (CID 10545698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).