1-cyclohexyl-4-trimethylsilylbut-3-yn-1-ol

C13H24OSi — CID 10867955

IUPAC1-cyclohexyl-4-trimethylsilylbut-3-yn-1-ol
SMILESC[Si](C)(C)C#CCC(O)C1CCCCC1
InChIInChI=1S/C13H24OSi/c1-15(2,3)11-7-10-13(14)12-8-5-4-6-9-12/h12-14H,4-6,8-10H2,1-3H3
InChIKeyLITPQCLWUBJBNR-UHFFFAOYSA-N
MW224.42 g/mol
LogP3.20
Rot. Bonds2

About 1-cyclohexyl-4-trimethylsilylbut-3-yn-1-ol

1-cyclohexyl-4-trimethylsilylbut-3-yn-1-ol (PubChem CID 10867955) has the molecular formula C13H24OSi and a molecular weight of 224.42 g/mol. Its IUPAC name is 1-cyclohexyl-4-trimethylsilylbut-3-yn-1-ol.

Molecular Properties

Compound Name1-cyclohexyl-4-trimethylsilylbut-3-yn-1-ol
PubChem CID10867955
Molecular FormulaC13H24OSi
Molecular Weight224.42 g/mol
Exact Mass224.16
IUPAC Name1-cyclohexyl-4-trimethylsilylbut-3-yn-1-ol
SMILESC[Si](C)(C)C#CCC(O)C1CCCCC1
InChIInChI=1S/C13H24OSi/c1-15(2,3)11-7-10-13(14)12-8-5-4-6-9-12/h12-14H,4-6,8-10H2,1-3H3
InChIKeyLITPQCLWUBJBNR-UHFFFAOYSA-N
XLogP3.20
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.42
LogP ≤ 53.20
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'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4-trimethylsilylbut-3-yn-1-ol?
The IUPAC name of 1-cyclohexyl-4-trimethylsilylbut-3-yn-1-ol (CID 10867955) is 1-cyclohexyl-4-trimethylsilylbut-3-yn-1-ol.
What is the SMILES notation for 1-cyclohexyl-4-trimethylsilylbut-3-yn-1-ol?
The canonical SMILES for 1-cyclohexyl-4-trimethylsilylbut-3-yn-1-ol is C[Si](C)(C)C#CCC(O)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-4-trimethylsilylbut-3-yn-1-ol?
The InChIKey is LITPQCLWUBJBNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24OSi/c1-15(2,3)11-7-10-13(14)12-8-5-4-6-9-12/h12-14H,4-6,8-10H2,1-3H3.
What are the key properties of 1-cyclohexyl-4-trimethylsilylbut-3-yn-1-ol?
1-cyclohexyl-4-trimethylsilylbut-3-yn-1-ol has a molecular weight of 224.42 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-trimethylsilylbut-3-yn-1-ol is sourced from PubChem (CID 10867955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).