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

C18H32OSi — CID 20693738

IUPAC4-(4-methylcyclohexyl)-1-(2-trimethylsilylethynyl)cyclohexan-1-ol
SMILESCC1CCC(C2CCC(O)(C#C[Si](C)(C)C)CC2)CC1
InChIInChI=1S/C18H32OSi/c1-15-5-7-16(8-6-15)17-9-11-18(19,12-10-17)13-14-20(2,3)4/h15-17,19H,5-12H2,1-4H3
InChIKeyDUSIXBYFRLAHCM-UHFFFAOYSA-N
MW292.54 g/mol
LogP4.61
Rot. Bonds1

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

4-(4-methylcyclohexyl)-1-(2-trimethylsilylethynyl)cyclohexan-1-ol (PubChem CID 20693738) has the molecular formula C18H32OSi and a molecular weight of 292.54 g/mol. Its IUPAC name is 4-(4-methylcyclohexyl)-1-(2-trimethylsilylethynyl)cyclohexan-1-ol.

Molecular Properties

Compound Name4-(4-methylcyclohexyl)-1-(2-trimethylsilylethynyl)cyclohexan-1-ol
PubChem CID20693738
Molecular FormulaC18H32OSi
Molecular Weight292.54 g/mol
Exact Mass292.22
IUPAC Name4-(4-methylcyclohexyl)-1-(2-trimethylsilylethynyl)cyclohexan-1-ol
SMILESCC1CCC(C2CCC(O)(C#C[Si](C)(C)C)CC2)CC1
InChIInChI=1S/C18H32OSi/c1-15-5-7-16(8-6-15)17-9-11-18(19,12-10-17)13-14-20(2,3)4/h15-17,19H,5-12H2,1-4H3
InChIKeyDUSIXBYFRLAHCM-UHFFFAOYSA-N
XLogP4.61
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.54
LogP ≤ 54.61
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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Related Compounds

1-Ethynyl-4-(4-pentylcyclohexyl)cyclohexan-1-ol
CID 89060737
1-Propan-2-yl-4-(2-trimethylsilylethynyl)-4-trimethylsilyloxycyclohexan-1-ol
CID 138982718
2-Cyclohexyl-4-tri(propan-2-yl)silylbut-3-yn-2-ol
CID 164669382
4-Ethynyl-4'-propylbicyclohexyl-4-ol
CID 18364504
1-[1-Pentyl-4-(4-pentylcyclohexyl)cyclohexyl]-3-trimethylsilylprop-2-yn-1-ol
CID 21365321
4-(4-Propylcyclohexyl)-1-(2-trimethylsilylethynyl)cyclohexan-1-ol
CID 59309285
4-Propyl-1-(2-trimethylsilylethynyl)cyclohexan-1-ol
CID 59309306
1-(3,3-Dimethylbut-1-ynyl)-4-(4-pentylcyclohexyl)cyclohexan-1-ol
CID 90907026
1-(5-Hydroxy-5-methylocta-1,3-diynyl)-4-(4-propylcyclohexyl)cyclohexan-1-ol
CID 129189995
4-(4-Propylcyclohexyl)-1-(2-silylethynyl)cyclohexan-1-ol
CID 173691698
4-Tert-butyl-1-(2-trimethylsilylethynyl)cyclohexan-1-ol
CID 10658495
1'-[(Trimethylsilyl)ethynyl][1,1'-bi(cyclohexane)]-1-ol
CID 71323238

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylcyclohexyl)-1-(2-trimethylsilylethynyl)cyclohexan-1-ol?
The IUPAC name of 4-(4-methylcyclohexyl)-1-(2-trimethylsilylethynyl)cyclohexan-1-ol (CID 20693738) is 4-(4-methylcyclohexyl)-1-(2-trimethylsilylethynyl)cyclohexan-1-ol.
What is the SMILES notation for 4-(4-methylcyclohexyl)-1-(2-trimethylsilylethynyl)cyclohexan-1-ol?
The canonical SMILES for 4-(4-methylcyclohexyl)-1-(2-trimethylsilylethynyl)cyclohexan-1-ol is CC1CCC(C2CCC(O)(C#C[Si](C)(C)C)CC2)CC1.
What is the InChIKey of 4-(4-methylcyclohexyl)-1-(2-trimethylsilylethynyl)cyclohexan-1-ol?
The InChIKey is DUSIXBYFRLAHCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32OSi/c1-15-5-7-16(8-6-15)17-9-11-18(19,12-10-17)13-14-20(2,3)4/h15-17,19H,5-12H2,1-4H3.
What are the key properties of 4-(4-methylcyclohexyl)-1-(2-trimethylsilylethynyl)cyclohexan-1-ol?
4-(4-methylcyclohexyl)-1-(2-trimethylsilylethynyl)cyclohexan-1-ol has a molecular weight of 292.54 g/mol, XLogP of 4.61, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylcyclohexyl)-1-(2-trimethylsilylethynyl)cyclohexan-1-ol is sourced from PubChem (CID 20693738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).