1-cyclohexyl-4-tri(propan-2-yl)silylbut-3-yn-1-ol

C19H36OSi — CID 164687146

IUPAC1-cyclohexyl-4-tri(propan-2-yl)silylbut-3-yn-1-ol
SMILESCC(C)[Si](C#CCC(O)C1CCCCC1)(C(C)C)C(C)C
InChIInChI=1S/C19H36OSi/c1-15(2)21(16(3)4,17(5)6)14-10-13-19(20)18-11-8-7-9-12-18/h15-20H,7-9,11-13H2,1-6H3
InChIKeyNVCOPMHJJHMSRV-UHFFFAOYSA-N
MW308.58 g/mol
LogP5.54
Rot. Bonds5

About 1-cyclohexyl-4-tri(propan-2-yl)silylbut-3-yn-1-ol

1-cyclohexyl-4-tri(propan-2-yl)silylbut-3-yn-1-ol (PubChem CID 164687146) has the molecular formula C19H36OSi and a molecular weight of 308.58 g/mol. Its IUPAC name is 1-cyclohexyl-4-tri(propan-2-yl)silylbut-3-yn-1-ol.

Molecular Properties

Compound Name1-cyclohexyl-4-tri(propan-2-yl)silylbut-3-yn-1-ol
PubChem CID164687146
Molecular FormulaC19H36OSi
Molecular Weight308.58 g/mol
Exact Mass308.25
IUPAC Name1-cyclohexyl-4-tri(propan-2-yl)silylbut-3-yn-1-ol
SMILESCC(C)[Si](C#CCC(O)C1CCCCC1)(C(C)C)C(C)C
InChIInChI=1S/C19H36OSi/c1-15(2)21(16(3)4,17(5)6)14-10-13-19(20)18-11-8-7-9-12-18/h15-20H,7-9,11-13H2,1-6H3
InChIKeyNVCOPMHJJHMSRV-UHFFFAOYSA-N
XLogP5.54
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
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'}

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Related Compounds

1-Cyclohexylundeca-2,4-diyne-1,6-diol
CID 122187220
1-Cyclohexyl-8-methylnona-2,4-diyne-1,6-diol
CID 122187225
1-Cyclohexylpentadeca-2,4-diyne-1,6-diol
CID 122187222
(5R)-1-tri(propan-2-yl)silyltetradeca-1,3-diyn-5-ol
CID 164610642
(1S)-1-cyclopentyl-5-tri(propan-2-yl)silylpenta-2,4-diyn-1-ol
CID 164617863
alpha-(3-(Trimethylsilyl)-2-propyn-1-yl)cyclohexanemethanol
CID 10867955
1-Tri(propan-2-yl)silyldodec-1-yn-4-ol
CID 12120914
tert-butyl-[(1R,2R)-2-hex-2-ynylcyclohexyl]oxy-dimethylsilane
CID 134978254
(1R)-1-cyclohexyl-3-triethylsilylprop-2-yn-1-ol
CID 10125283
(1S)-1-cyclohexyl-3-trimethylsilylprop-2-yn-1-ol
CID 10536456
alpha-[2-(Trimethylsilyl)ethynyl]cyclohexanemethanol
CID 14026558
1-Cyclohexylhept-2-yn-1-ol
CID 14765192

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4-tri(propan-2-yl)silylbut-3-yn-1-ol?
The IUPAC name of 1-cyclohexyl-4-tri(propan-2-yl)silylbut-3-yn-1-ol (CID 164687146) is 1-cyclohexyl-4-tri(propan-2-yl)silylbut-3-yn-1-ol.
What is the SMILES notation for 1-cyclohexyl-4-tri(propan-2-yl)silylbut-3-yn-1-ol?
The canonical SMILES for 1-cyclohexyl-4-tri(propan-2-yl)silylbut-3-yn-1-ol is CC(C)[Si](C#CCC(O)C1CCCCC1)(C(C)C)C(C)C.
What is the InChIKey of 1-cyclohexyl-4-tri(propan-2-yl)silylbut-3-yn-1-ol?
The InChIKey is NVCOPMHJJHMSRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36OSi/c1-15(2)21(16(3)4,17(5)6)14-10-13-19(20)18-11-8-7-9-12-18/h15-20H,7-9,11-13H2,1-6H3.
What are the key properties of 1-cyclohexyl-4-tri(propan-2-yl)silylbut-3-yn-1-ol?
1-cyclohexyl-4-tri(propan-2-yl)silylbut-3-yn-1-ol has a molecular weight of 308.58 g/mol, XLogP of 5.54, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-tri(propan-2-yl)silylbut-3-yn-1-ol is sourced from PubChem (CID 164687146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).