4-(4-propylcyclohexyl)-1-(2-trimethylsilylethynyl)cyclohexan-1-ol

C20H36OSi — CID 59309285

IUPAC4-(4-propylcyclohexyl)-1-(2-trimethylsilylethynyl)cyclohexan-1-ol
SMILESCCCC1CCC(C2CCC(O)(C#C[Si](C)(C)C)CC2)CC1
InChIInChI=1S/C20H36OSi/c1-5-6-17-7-9-18(10-8-17)19-11-13-20(21,14-12-19)15-16-22(2,3)4/h17-19,21H,5-14H2,1-4H3
InChIKeyCDXPIOUMCDWENY-UHFFFAOYSA-N
MW320.59 g/mol
LogP5.39
Rot. Bonds3

About 4-(4-propylcyclohexyl)-1-(2-trimethylsilylethynyl)cyclohexan-1-ol

4-(4-propylcyclohexyl)-1-(2-trimethylsilylethynyl)cyclohexan-1-ol (PubChem CID 59309285) has the molecular formula C20H36OSi and a molecular weight of 320.59 g/mol. Its IUPAC name is 4-(4-propylcyclohexyl)-1-(2-trimethylsilylethynyl)cyclohexan-1-ol.

Molecular Properties

Compound Name4-(4-propylcyclohexyl)-1-(2-trimethylsilylethynyl)cyclohexan-1-ol
PubChem CID59309285
Molecular FormulaC20H36OSi
Molecular Weight320.59 g/mol
Exact Mass320.25
IUPAC Name4-(4-propylcyclohexyl)-1-(2-trimethylsilylethynyl)cyclohexan-1-ol
SMILESCCCC1CCC(C2CCC(O)(C#C[Si](C)(C)C)CC2)CC1
InChIInChI=1S/C20H36OSi/c1-5-6-17-7-9-18(10-8-17)19-11-13-20(21,14-12-19)15-16-22(2,3)4/h17-19,21H,5-14H2,1-4H3
InChIKeyCDXPIOUMCDWENY-UHFFFAOYSA-N
XLogP5.39
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.59
LogP ≤ 55.39
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 4-(4-propylcyclohexyl)-1-(2-trimethylsilylethynyl)cyclohexan-1-ol?
The IUPAC name of 4-(4-propylcyclohexyl)-1-(2-trimethylsilylethynyl)cyclohexan-1-ol (CID 59309285) is 4-(4-propylcyclohexyl)-1-(2-trimethylsilylethynyl)cyclohexan-1-ol.
What is the SMILES notation for 4-(4-propylcyclohexyl)-1-(2-trimethylsilylethynyl)cyclohexan-1-ol?
The canonical SMILES for 4-(4-propylcyclohexyl)-1-(2-trimethylsilylethynyl)cyclohexan-1-ol is CCCC1CCC(C2CCC(O)(C#C[Si](C)(C)C)CC2)CC1.
What is the InChIKey of 4-(4-propylcyclohexyl)-1-(2-trimethylsilylethynyl)cyclohexan-1-ol?
The InChIKey is CDXPIOUMCDWENY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36OSi/c1-5-6-17-7-9-18(10-8-17)19-11-13-20(21,14-12-19)15-16-22(2,3)4/h17-19,21H,5-14H2,1-4H3.
What are the key properties of 4-(4-propylcyclohexyl)-1-(2-trimethylsilylethynyl)cyclohexan-1-ol?
4-(4-propylcyclohexyl)-1-(2-trimethylsilylethynyl)cyclohexan-1-ol has a molecular weight of 320.59 g/mol, XLogP of 5.39, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-propylcyclohexyl)-1-(2-trimethylsilylethynyl)cyclohexan-1-ol is sourced from PubChem (CID 59309285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).