1-trimethylsilyldodec-1-yn-4-ol

C15H30OSi — CID 11322794

IUPAC1-trimethylsilyldodec-1-yn-4-ol
SMILESCCCCCCCCC(O)CC#C[Si](C)(C)C
InChIInChI=1S/C15H30OSi/c1-5-6-7-8-9-10-12-15(16)13-11-14-17(2,3)4/h15-16H,5-10,12-13H2,1-4H3
InChIKeyRKXQTKYLQXFAQB-UHFFFAOYSA-N
MW254.49 g/mol
LogP4.37
Rot. Bonds8

About 1-trimethylsilyldodec-1-yn-4-ol

1-trimethylsilyldodec-1-yn-4-ol (PubChem CID 11322794) has the molecular formula C15H30OSi and a molecular weight of 254.49 g/mol. Its IUPAC name is 1-trimethylsilyldodec-1-yn-4-ol.

Molecular Properties

Compound Name1-trimethylsilyldodec-1-yn-4-ol
PubChem CID11322794
Molecular FormulaC15H30OSi
Molecular Weight254.49 g/mol
Exact Mass254.21
IUPAC Name1-trimethylsilyldodec-1-yn-4-ol
SMILESCCCCCCCCC(O)CC#C[Si](C)(C)C
InChIInChI=1S/C15H30OSi/c1-5-6-7-8-9-10-12-15(16)13-11-14-17(2,3)4/h15-16H,5-10,12-13H2,1-4H3
InChIKeyRKXQTKYLQXFAQB-UHFFFAOYSA-N
XLogP4.37
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.49
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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'}

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Frequently Asked Questions

What is the IUPAC name of 1-trimethylsilyldodec-1-yn-4-ol?
The IUPAC name of 1-trimethylsilyldodec-1-yn-4-ol (CID 11322794) is 1-trimethylsilyldodec-1-yn-4-ol.
What is the SMILES notation for 1-trimethylsilyldodec-1-yn-4-ol?
The canonical SMILES for 1-trimethylsilyldodec-1-yn-4-ol is CCCCCCCCC(O)CC#C[Si](C)(C)C.
What is the InChIKey of 1-trimethylsilyldodec-1-yn-4-ol?
The InChIKey is RKXQTKYLQXFAQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30OSi/c1-5-6-7-8-9-10-12-15(16)13-11-14-17(2,3)4/h15-16H,5-10,12-13H2,1-4H3.
What are the key properties of 1-trimethylsilyldodec-1-yn-4-ol?
1-trimethylsilyldodec-1-yn-4-ol has a molecular weight of 254.49 g/mol, XLogP of 4.37, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-trimethylsilyldodec-1-yn-4-ol is sourced from PubChem (CID 11322794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).