1-[3-tri(propan-2-yl)silyloxybut-1-ynyl]cyclohexan-1-ol

C19H36O2Si — CID 11645523

IUPAC1-[3-tri(propan-2-yl)silyloxybut-1-ynyl]cyclohexan-1-ol
SMILESCC(C#CC1(O)CCCCC1)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C19H36O2Si/c1-15(2)22(16(3)4,17(5)6)21-18(7)11-14-19(20)12-9-8-10-13-19/h15-18,20H,8-10,12-13H2,1-7H3
InChIKeyBGXQIQGRGKVWBJ-UHFFFAOYSA-N
MW324.58 g/mol
LogP5.27
Rot. Bonds5

About 1-[3-tri(propan-2-yl)silyloxybut-1-ynyl]cyclohexan-1-ol

1-[3-tri(propan-2-yl)silyloxybut-1-ynyl]cyclohexan-1-ol (PubChem CID 11645523) has the molecular formula C19H36O2Si and a molecular weight of 324.58 g/mol. Its IUPAC name is 1-[3-tri(propan-2-yl)silyloxybut-1-ynyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[3-tri(propan-2-yl)silyloxybut-1-ynyl]cyclohexan-1-ol
PubChem CID11645523
Molecular FormulaC19H36O2Si
Molecular Weight324.58 g/mol
Exact Mass324.25
IUPAC Name1-[3-tri(propan-2-yl)silyloxybut-1-ynyl]cyclohexan-1-ol
SMILESCC(C#CC1(O)CCCCC1)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C19H36O2Si/c1-15(2)22(16(3)4,17(5)6)21-18(7)11-14-19(20)12-9-8-10-13-19/h15-18,20H,8-10,12-13H2,1-7H3
InChIKeyBGXQIQGRGKVWBJ-UHFFFAOYSA-N
XLogP5.27
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.58
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

Dimethyl-trimethylsilyloxy-[2-(1-trimethylsilyloxycyclohexyl)ethynyl]silane
CID 68852263
Trimethyl-[1-[2-[methyl-bis(trimethylsilyloxy)silyl]ethynyl]cyclohexyl]oxysilane
CID 68852351
(1R)-4-[tert-butyl(dimethyl)silyl]oxy-1-cyclohexylbut-2-yn-1-ol
CID 11346596
(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-cyclohexylpent-2-yn-1-ol
CID 102055795
Tert-butyl-[4-[4-[tert-butyl(dimethyl)silyl]oxybut-1-ynyl]cyclohexyl]oxy-dimethylsilane
CID 135008502
(1R)-1-cyclohexyl-5-tri(propan-2-yl)silylpenta-2,4-diyn-1-ol
CID 135020612
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
Triethoxy-[2-(1-trimethylsilyloxycyclohexyl)ethynyl]silane
CID 15965558
4-((Tert-butyldimethylsilyl)oxy)-1-ethynylcyclohexanol
CID 59293774
4-[2-[Tert-butyl(dimethyl)silyl]oxyethynyl]cyclohexan-1-ol
CID 69044065
4-[Tert-butyl(dimethyl)silyl]oxy-4-ethyloct-2-yn-1-ol
CID 85825714

Frequently Asked Questions

What is the IUPAC name of 1-[3-tri(propan-2-yl)silyloxybut-1-ynyl]cyclohexan-1-ol?
The IUPAC name of 1-[3-tri(propan-2-yl)silyloxybut-1-ynyl]cyclohexan-1-ol (CID 11645523) is 1-[3-tri(propan-2-yl)silyloxybut-1-ynyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[3-tri(propan-2-yl)silyloxybut-1-ynyl]cyclohexan-1-ol?
The canonical SMILES for 1-[3-tri(propan-2-yl)silyloxybut-1-ynyl]cyclohexan-1-ol is CC(C#CC1(O)CCCCC1)O[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of 1-[3-tri(propan-2-yl)silyloxybut-1-ynyl]cyclohexan-1-ol?
The InChIKey is BGXQIQGRGKVWBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36O2Si/c1-15(2)22(16(3)4,17(5)6)21-18(7)11-14-19(20)12-9-8-10-13-19/h15-18,20H,8-10,12-13H2,1-7H3.
What are the key properties of 1-[3-tri(propan-2-yl)silyloxybut-1-ynyl]cyclohexan-1-ol?
1-[3-tri(propan-2-yl)silyloxybut-1-ynyl]cyclohexan-1-ol has a molecular weight of 324.58 g/mol, XLogP of 5.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-tri(propan-2-yl)silyloxybut-1-ynyl]cyclohexan-1-ol is sourced from PubChem (CID 11645523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).