8-trimethylsilyldodec-6-yn-5-ol

C15H30OSi — CID 10354989

IUPAC8-trimethylsilyldodec-6-yn-5-ol
SMILESCCCCC(O)C#CC(CCCC)[Si](C)(C)C
InChIInChI=1S/C15H30OSi/c1-6-8-10-14(16)12-13-15(11-9-7-2)17(3,4)5/h14-16H,6-11H2,1-5H3
InChIKeyHPPIDCDLWOZOSH-UHFFFAOYSA-N
MW254.49 g/mol
LogP4.44
Rot. Bonds7

About 8-trimethylsilyldodec-6-yn-5-ol

8-trimethylsilyldodec-6-yn-5-ol (PubChem CID 10354989) has the molecular formula C15H30OSi and a molecular weight of 254.49 g/mol. Its IUPAC name is 8-trimethylsilyldodec-6-yn-5-ol.

Molecular Properties

Compound Name8-trimethylsilyldodec-6-yn-5-ol
PubChem CID10354989
Molecular FormulaC15H30OSi
Molecular Weight254.49 g/mol
Exact Mass254.21
IUPAC Name8-trimethylsilyldodec-6-yn-5-ol
SMILESCCCCC(O)C#CC(CCCC)[Si](C)(C)C
InChIInChI=1S/C15H30OSi/c1-6-8-10-14(16)12-13-15(11-9-7-2)17(3,4)5/h14-16H,6-11H2,1-5H3
InChIKeyHPPIDCDLWOZOSH-UHFFFAOYSA-N
XLogP4.44
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.49
LogP ≤ 54.44
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 8-trimethylsilyldodec-6-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 8-trimethylsilyldodec-6-yn-5-ol?
The IUPAC name of 8-trimethylsilyldodec-6-yn-5-ol (CID 10354989) is 8-trimethylsilyldodec-6-yn-5-ol.
What is the SMILES notation for 8-trimethylsilyldodec-6-yn-5-ol?
The canonical SMILES for 8-trimethylsilyldodec-6-yn-5-ol is CCCCC(O)C#CC(CCCC)[Si](C)(C)C.
What is the InChIKey of 8-trimethylsilyldodec-6-yn-5-ol?
The InChIKey is HPPIDCDLWOZOSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30OSi/c1-6-8-10-14(16)12-13-15(11-9-7-2)17(3,4)5/h14-16H,6-11H2,1-5H3.
What are the key properties of 8-trimethylsilyldodec-6-yn-5-ol?
8-trimethylsilyldodec-6-yn-5-ol has a molecular weight of 254.49 g/mol, XLogP of 4.44, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-trimethylsilyldodec-6-yn-5-ol is sourced from PubChem (CID 10354989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).