7-(2-trimethylsilylethynyl)dodecan-6-ol

C17H34OSi — CID 15190947

IUPAC7-(2-trimethylsilylethynyl)dodecan-6-ol
SMILESCCCCCC(O)C(C#C[Si](C)(C)C)CCCCC
InChIInChI=1S/C17H34OSi/c1-6-8-10-12-16(14-15-19(3,4)5)17(18)13-11-9-7-2/h16-18H,6-13H2,1-5H3
InChIKeyICWHQTKIJYOCMO-UHFFFAOYSA-N
MW282.54 g/mol
LogP5.00
Rot. Bonds9

About 7-(2-trimethylsilylethynyl)dodecan-6-ol

7-(2-trimethylsilylethynyl)dodecan-6-ol (PubChem CID 15190947) has the molecular formula C17H34OSi and a molecular weight of 282.54 g/mol. Its IUPAC name is 7-(2-trimethylsilylethynyl)dodecan-6-ol.

Molecular Properties

Compound Name7-(2-trimethylsilylethynyl)dodecan-6-ol
PubChem CID15190947
Molecular FormulaC17H34OSi
Molecular Weight282.54 g/mol
Exact Mass282.24
IUPAC Name7-(2-trimethylsilylethynyl)dodecan-6-ol
SMILESCCCCCC(O)C(C#C[Si](C)(C)C)CCCCC
InChIInChI=1S/C17H34OSi/c1-6-8-10-12-16(14-15-19(3,4)5)17(18)13-11-9-7-2/h16-18H,6-13H2,1-5H3
InChIKeyICWHQTKIJYOCMO-UHFFFAOYSA-N
XLogP5.00
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.54
LogP ≤ 55.00
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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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 7-(2-trimethylsilylethynyl)dodecan-6-ol?
The IUPAC name of 7-(2-trimethylsilylethynyl)dodecan-6-ol (CID 15190947) is 7-(2-trimethylsilylethynyl)dodecan-6-ol.
What is the SMILES notation for 7-(2-trimethylsilylethynyl)dodecan-6-ol?
The canonical SMILES for 7-(2-trimethylsilylethynyl)dodecan-6-ol is CCCCCC(O)C(C#C[Si](C)(C)C)CCCCC.
What is the InChIKey of 7-(2-trimethylsilylethynyl)dodecan-6-ol?
The InChIKey is ICWHQTKIJYOCMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34OSi/c1-6-8-10-12-16(14-15-19(3,4)5)17(18)13-11-9-7-2/h16-18H,6-13H2,1-5H3.
What are the key properties of 7-(2-trimethylsilylethynyl)dodecan-6-ol?
7-(2-trimethylsilylethynyl)dodecan-6-ol has a molecular weight of 282.54 g/mol, XLogP of 5.00, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-trimethylsilylethynyl)dodecan-6-ol is sourced from PubChem (CID 15190947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).