1-[1-(2-trimethylsilylethynyl)cyclohexyl]cyclohexan-1-ol

C17H30OSi — CID 71323238

IUPAC1-[1-(2-trimethylsilylethynyl)cyclohexyl]cyclohexan-1-ol
SMILESC[Si](C)(C)C#CC1(C2(O)CCCCC2)CCCCC1
InChIInChI=1S/C17H30OSi/c1-19(2,3)15-14-16(10-6-4-7-11-16)17(18)12-8-5-9-13-17/h18H,4-13H2,1-3H3
InChIKeySRLODRPPSHXFQO-UHFFFAOYSA-N
MW278.51 g/mol
LogP4.51
Rot. Bonds1

About 1-[1-(2-trimethylsilylethynyl)cyclohexyl]cyclohexan-1-ol

1-[1-(2-trimethylsilylethynyl)cyclohexyl]cyclohexan-1-ol (PubChem CID 71323238) has the molecular formula C17H30OSi and a molecular weight of 278.51 g/mol. Its IUPAC name is 1-[1-(2-trimethylsilylethynyl)cyclohexyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[1-(2-trimethylsilylethynyl)cyclohexyl]cyclohexan-1-ol
PubChem CID71323238
Molecular FormulaC17H30OSi
Molecular Weight278.51 g/mol
Exact Mass278.21
IUPAC Name1-[1-(2-trimethylsilylethynyl)cyclohexyl]cyclohexan-1-ol
SMILESC[Si](C)(C)C#CC1(C2(O)CCCCC2)CCCCC1
InChIInChI=1S/C17H30OSi/c1-19(2,3)15-14-16(10-6-4-7-11-16)17(18)12-8-5-9-13-17/h18H,4-13H2,1-3H3
InChIKeySRLODRPPSHXFQO-UHFFFAOYSA-N
XLogP4.51
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.51
LogP ≤ 54.51
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-[1-(2-trimethylsilylethynyl)cyclohexyl]cyclohexan-1-ol?
The IUPAC name of 1-[1-(2-trimethylsilylethynyl)cyclohexyl]cyclohexan-1-ol (CID 71323238) is 1-[1-(2-trimethylsilylethynyl)cyclohexyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[1-(2-trimethylsilylethynyl)cyclohexyl]cyclohexan-1-ol?
The canonical SMILES for 1-[1-(2-trimethylsilylethynyl)cyclohexyl]cyclohexan-1-ol is C[Si](C)(C)C#CC1(C2(O)CCCCC2)CCCCC1.
What is the InChIKey of 1-[1-(2-trimethylsilylethynyl)cyclohexyl]cyclohexan-1-ol?
The InChIKey is SRLODRPPSHXFQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30OSi/c1-19(2,3)15-14-16(10-6-4-7-11-16)17(18)12-8-5-9-13-17/h18H,4-13H2,1-3H3.
What are the key properties of 1-[1-(2-trimethylsilylethynyl)cyclohexyl]cyclohexan-1-ol?
1-[1-(2-trimethylsilylethynyl)cyclohexyl]cyclohexan-1-ol has a molecular weight of 278.51 g/mol, XLogP of 4.51, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-trimethylsilylethynyl)cyclohexyl]cyclohexan-1-ol is sourced from PubChem (CID 71323238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).