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

C19H34F2OSi — CID 15495756

IUPAC1-cyclohexyl-2,2-difluoro-4-tri(propan-2-yl)silylbut-3-yn-1-ol
SMILESCC(C)[Si](C#CC(F)(F)C(O)C1CCCCC1)(C(C)C)C(C)C
InChIInChI=1S/C19H34F2OSi/c1-14(2)23(15(3)4,16(5)6)13-12-19(20,21)18(22)17-10-8-7-9-11-17/h14-18,22H,7-11H2,1-6H3
InChIKeyQZKLHOAHOBJZRQ-UHFFFAOYSA-N
MW344.56 g/mol
LogP5.78
Rot. Bonds5

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

1-cyclohexyl-2,2-difluoro-4-tri(propan-2-yl)silylbut-3-yn-1-ol (PubChem CID 15495756) has the molecular formula C19H34F2OSi and a molecular weight of 344.56 g/mol. Its IUPAC name is 1-cyclohexyl-2,2-difluoro-4-tri(propan-2-yl)silylbut-3-yn-1-ol.

Molecular Properties

Compound Name1-cyclohexyl-2,2-difluoro-4-tri(propan-2-yl)silylbut-3-yn-1-ol
PubChem CID15495756
Molecular FormulaC19H34F2OSi
Molecular Weight344.56 g/mol
Exact Mass344.23
IUPAC Name1-cyclohexyl-2,2-difluoro-4-tri(propan-2-yl)silylbut-3-yn-1-ol
SMILESCC(C)[Si](C#CC(F)(F)C(O)C1CCCCC1)(C(C)C)C(C)C
InChIInChI=1S/C19H34F2OSi/c1-14(2)23(15(3)4,16(5)6)13-12-19(20,21)18(22)17-10-8-7-9-11-17/h14-18,22H,7-11H2,1-6H3
InChIKeyQZKLHOAHOBJZRQ-UHFFFAOYSA-N
XLogP5.78
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.56
LogP ≤ 55.78
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

alpha-(3-(Trimethylsilyl)-2-propyn-1-yl)cyclohexanemethanol
CID 10867955
(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
3-[2-[Dimethyl(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silyl]ethyl]cyclohexan-1-ol
CID 173558217
(1R,2S)-1-cyclohexyl-2-methyl-4-trimethylsilylbut-3-yn-1-ol
CID 10561949
(1R)-1-cyclohexyl-3-trimethylsilylprop-2-yn-1-ol
CID 10846153
(1R)-4-[tert-butyl(dimethyl)silyl]oxy-1-cyclohexylbut-2-yn-1-ol
CID 11346596
(1R)-1-cyclohexyl-4-trimethylsilylbut-3-yn-1-ol
CID 11673033
17-Methyl-1-trimethylsilylpentacos-1-yn-3-ol
CID 91252750
(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-cyclohexylpent-2-yn-1-ol
CID 102055795
(3S,4R)-2-methyl-4-(2-trimethylsilylethynyl)undecan-3-ol
CID 102080041

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2,2-difluoro-4-tri(propan-2-yl)silylbut-3-yn-1-ol?
The IUPAC name of 1-cyclohexyl-2,2-difluoro-4-tri(propan-2-yl)silylbut-3-yn-1-ol (CID 15495756) is 1-cyclohexyl-2,2-difluoro-4-tri(propan-2-yl)silylbut-3-yn-1-ol.
What is the SMILES notation for 1-cyclohexyl-2,2-difluoro-4-tri(propan-2-yl)silylbut-3-yn-1-ol?
The canonical SMILES for 1-cyclohexyl-2,2-difluoro-4-tri(propan-2-yl)silylbut-3-yn-1-ol is CC(C)[Si](C#CC(F)(F)C(O)C1CCCCC1)(C(C)C)C(C)C.
What is the InChIKey of 1-cyclohexyl-2,2-difluoro-4-tri(propan-2-yl)silylbut-3-yn-1-ol?
The InChIKey is QZKLHOAHOBJZRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34F2OSi/c1-14(2)23(15(3)4,16(5)6)13-12-19(20,21)18(22)17-10-8-7-9-11-17/h14-18,22H,7-11H2,1-6H3.
What are the key properties of 1-cyclohexyl-2,2-difluoro-4-tri(propan-2-yl)silylbut-3-yn-1-ol?
1-cyclohexyl-2,2-difluoro-4-tri(propan-2-yl)silylbut-3-yn-1-ol has a molecular weight of 344.56 g/mol, XLogP of 5.78, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2,2-difluoro-4-tri(propan-2-yl)silylbut-3-yn-1-ol is sourced from PubChem (CID 15495756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).