1-(4-pentylcyclohexyl)-4-(4-trimethylsilyloxycyclohexyl)but-3-yn-2-ol

C24H44O2Si — CID 18952866

IUPAC1-(4-pentylcyclohexyl)-4-(4-trimethylsilyloxycyclohexyl)but-3-yn-2-ol
SMILESCCCCCC1CCC(CC(O)C#CC2CCC(O[Si](C)(C)C)CC2)CC1
InChIInChI=1S/C24H44O2Si/c1-5-6-7-8-20-9-11-22(12-10-20)19-23(25)16-13-21-14-17-24(18-15-21)26-27(2,3)4/h20-25H,5-12,14-15,17-19H2,1-4H3
InChIKeyWUXFQWXDRZFXDD-UHFFFAOYSA-N
MW392.70 g/mol
LogP6.54
Rot. Bonds8

About 1-(4-pentylcyclohexyl)-4-(4-trimethylsilyloxycyclohexyl)but-3-yn-2-ol

1-(4-pentylcyclohexyl)-4-(4-trimethylsilyloxycyclohexyl)but-3-yn-2-ol (PubChem CID 18952866) has the molecular formula C24H44O2Si and a molecular weight of 392.70 g/mol. Its IUPAC name is 1-(4-pentylcyclohexyl)-4-(4-trimethylsilyloxycyclohexyl)but-3-yn-2-ol.

Molecular Properties

Compound Name1-(4-pentylcyclohexyl)-4-(4-trimethylsilyloxycyclohexyl)but-3-yn-2-ol
PubChem CID18952866
Molecular FormulaC24H44O2Si
Molecular Weight392.70 g/mol
Exact Mass392.31
IUPAC Name1-(4-pentylcyclohexyl)-4-(4-trimethylsilyloxycyclohexyl)but-3-yn-2-ol
SMILESCCCCCC1CCC(CC(O)C#CC2CCC(O[Si](C)(C)C)CC2)CC1
InChIInChI=1S/C24H44O2Si/c1-5-6-7-8-20-9-11-22(12-10-20)19-23(25)16-13-21-14-17-24(18-15-21)26-27(2,3)4/h20-25H,5-12,14-15,17-19H2,1-4H3
InChIKeyWUXFQWXDRZFXDD-UHFFFAOYSA-N
XLogP6.54
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.70
LogP ≤ 56.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

1-heptyl-4-[2-(4-propylcyclohexyl)ethynyl]cyclohexane
CID 19985111
1-ethyl-4-[2-(4-heptylcyclohexyl)ethynyl]cyclohexane
CID 19985073
1-butyl-4-[(E)-6-(4-pentylcyclohexyl)hex-3-en-1,5-diynyl]cyclohexane
CID 19424985
1-pentyl-4-prop-1-ynylcyclohexane
CID 90984022
tetradecane;undecylcyclopropane
CID 173215670
1,4-dihexylcyclohexane
CID 22947938
octadecane;pentadecylcyclopropane
CID 173301851
1-dodecyl-4-pentadecylcyclohexane
CID 123560684
azane;hexylcyclopropane
CID 135322230
hexane;pentylcyclopropane
CID 159592467
1-propyl-4-[2-(4-propylcyclohexyl)ethynyl]cyclohexane
CID 145484566
(4-pentylcyclohexyl) formate
CID 57022006

Frequently Asked Questions

What is the IUPAC name of 1-(4-pentylcyclohexyl)-4-(4-trimethylsilyloxycyclohexyl)but-3-yn-2-ol?
The IUPAC name of 1-(4-pentylcyclohexyl)-4-(4-trimethylsilyloxycyclohexyl)but-3-yn-2-ol (CID 18952866) is 1-(4-pentylcyclohexyl)-4-(4-trimethylsilyloxycyclohexyl)but-3-yn-2-ol.
What is the SMILES notation for 1-(4-pentylcyclohexyl)-4-(4-trimethylsilyloxycyclohexyl)but-3-yn-2-ol?
The canonical SMILES for 1-(4-pentylcyclohexyl)-4-(4-trimethylsilyloxycyclohexyl)but-3-yn-2-ol is CCCCCC1CCC(CC(O)C#CC2CCC(O[Si](C)(C)C)CC2)CC1.
What is the InChIKey of 1-(4-pentylcyclohexyl)-4-(4-trimethylsilyloxycyclohexyl)but-3-yn-2-ol?
The InChIKey is WUXFQWXDRZFXDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H44O2Si/c1-5-6-7-8-20-9-11-22(12-10-20)19-23(25)16-13-21-14-17-24(18-15-21)26-27(2,3)4/h20-25H,5-12,14-15,17-19H2,1-4H3.
What are the key properties of 1-(4-pentylcyclohexyl)-4-(4-trimethylsilyloxycyclohexyl)but-3-yn-2-ol?
1-(4-pentylcyclohexyl)-4-(4-trimethylsilyloxycyclohexyl)but-3-yn-2-ol has a molecular weight of 392.70 g/mol, XLogP of 6.54, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-pentylcyclohexyl)-4-(4-trimethylsilyloxycyclohexyl)but-3-yn-2-ol is sourced from PubChem (CID 18952866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).