2-cyclohexyl-4-tri(propan-2-yl)silylbut-3-yn-2-ol

C19H36OSi — CID 164669382

IUPAC2-cyclohexyl-4-tri(propan-2-yl)silylbut-3-yn-2-ol
SMILESCC(C)[Si](C#CC(C)(O)C1CCCCC1)(C(C)C)C(C)C
InChIInChI=1S/C19H36OSi/c1-15(2)21(16(3)4,17(5)6)14-13-19(7,20)18-11-9-8-10-12-18/h15-18,20H,8-12H2,1-7H3
InChIKeyDLDQGMXVGXUZJD-UHFFFAOYSA-N
MW308.58 g/mol
LogP5.54
Rot. Bonds4

About 2-cyclohexyl-4-tri(propan-2-yl)silylbut-3-yn-2-ol

2-cyclohexyl-4-tri(propan-2-yl)silylbut-3-yn-2-ol (PubChem CID 164669382) has the molecular formula C19H36OSi and a molecular weight of 308.58 g/mol. Its IUPAC name is 2-cyclohexyl-4-tri(propan-2-yl)silylbut-3-yn-2-ol.

Molecular Properties

Compound Name2-cyclohexyl-4-tri(propan-2-yl)silylbut-3-yn-2-ol
PubChem CID164669382
Molecular FormulaC19H36OSi
Molecular Weight308.58 g/mol
Exact Mass308.25
IUPAC Name2-cyclohexyl-4-tri(propan-2-yl)silylbut-3-yn-2-ol
SMILESCC(C)[Si](C#CC(C)(O)C1CCCCC1)(C(C)C)C(C)C
InChIInChI=1S/C19H36OSi/c1-15(2)21(16(3)4,17(5)6)14-13-19(7,20)18-11-9-8-10-12-18/h15-18,20H,8-12H2,1-7H3
InChIKeyDLDQGMXVGXUZJD-UHFFFAOYSA-N
XLogP5.54
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.58
LogP ≤ 55.54
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'}

Analyze 2-cyclohexyl-4-tri(propan-2-yl)silylbut-3-yn-2-ol with MolForge

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Launch Full Analysis

Related Compounds

(2R)-2-cyclohexyl-1,1,1-trifluoro-5-trimethylsilylpent-4-yn-2-ol
CID 134968789
(2S,3R)-2-cyclohexyl-3-trimethylsilylheptan-3-ol
CID 14087111
trans-(1R,2S)-1-cyclohexyl-2-trimethylsilylcyclopropan-1-ol
CID 15448296
(2S,3S)-2-cyclohexyl-3-trimethylsilylheptan-3-ol
CID 134901155
(1R)-1-cyclohexyl-5-tri(propan-2-yl)silylpenta-2,4-diyn-1-ol
CID 135020612
2-[(1S,2R)-2-[butyl(dimethyl)silyl]cyclohexyl]propan-2-ol
CID 154711087
2-[(1S,2R)-2-trimethylsilylcyclohexyl]propan-2-ol
CID 154723356
1-Cyclohexyl-4-tri(propan-2-yl)silylbut-3-yn-1-ol
CID 164687146
(1S)-1-cyclohexyl-3-tri(propan-2-yl)silylprop-2-yn-1-ol
CID 11346939
1-Cyclohexyl-2-trimethylsilylcyclopropan-1-ol
CID 15448297
4-(4-Methylcyclohexyl)-1-(2-trimethylsilylethynyl)cyclohexan-1-ol
CID 20693738
Tert-butyl-(2-cyclohexylbut-3-yn-2-yloxy)-dimethylsilane
CID 22150485

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-4-tri(propan-2-yl)silylbut-3-yn-2-ol?
The IUPAC name of 2-cyclohexyl-4-tri(propan-2-yl)silylbut-3-yn-2-ol (CID 164669382) is 2-cyclohexyl-4-tri(propan-2-yl)silylbut-3-yn-2-ol.
What is the SMILES notation for 2-cyclohexyl-4-tri(propan-2-yl)silylbut-3-yn-2-ol?
The canonical SMILES for 2-cyclohexyl-4-tri(propan-2-yl)silylbut-3-yn-2-ol is CC(C)[Si](C#CC(C)(O)C1CCCCC1)(C(C)C)C(C)C.
What is the InChIKey of 2-cyclohexyl-4-tri(propan-2-yl)silylbut-3-yn-2-ol?
The InChIKey is DLDQGMXVGXUZJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36OSi/c1-15(2)21(16(3)4,17(5)6)14-13-19(7,20)18-11-9-8-10-12-18/h15-18,20H,8-12H2,1-7H3.
What are the key properties of 2-cyclohexyl-4-tri(propan-2-yl)silylbut-3-yn-2-ol?
2-cyclohexyl-4-tri(propan-2-yl)silylbut-3-yn-2-ol has a molecular weight of 308.58 g/mol, XLogP of 5.54, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-4-tri(propan-2-yl)silylbut-3-yn-2-ol is sourced from PubChem (CID 164669382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).