2-[dimethyl(phenyl)silyl]-5,5-dimethylhex-3-yn-2-ol

C16H24OSi — CID 166442245

IUPAC2-[dimethyl(phenyl)silyl]-5,5-dimethylhex-3-yn-2-ol
SMILESCC(C)(C)C#CC(C)(O)[Si](C)(C)c1ccccc1
InChIInChI=1S/C16H24OSi/c1-15(2,3)12-13-16(4,17)18(5,6)14-10-8-7-9-11-14/h7-11,17H,1-6H3
InChIKeySXRRELKPVVRIIJ-UHFFFAOYSA-N
MW260.45 g/mol
LogP2.94
Rot. Bonds2

About 2-[dimethyl(phenyl)silyl]-5,5-dimethylhex-3-yn-2-ol

2-[dimethyl(phenyl)silyl]-5,5-dimethylhex-3-yn-2-ol (PubChem CID 166442245) has the molecular formula C16H24OSi and a molecular weight of 260.45 g/mol. Its IUPAC name is 2-[dimethyl(phenyl)silyl]-5,5-dimethylhex-3-yn-2-ol.

Molecular Properties

Compound Name2-[dimethyl(phenyl)silyl]-5,5-dimethylhex-3-yn-2-ol
PubChem CID166442245
Molecular FormulaC16H24OSi
Molecular Weight260.45 g/mol
Exact Mass260.16
IUPAC Name2-[dimethyl(phenyl)silyl]-5,5-dimethylhex-3-yn-2-ol
SMILESCC(C)(C)C#CC(C)(O)[Si](C)(C)c1ccccc1
InChIInChI=1S/C16H24OSi/c1-15(2,3)12-13-16(4,17)18(5,6)14-10-8-7-9-11-14/h7-11,17H,1-6H3
InChIKeySXRRELKPVVRIIJ-UHFFFAOYSA-N
XLogP2.94
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.45
LogP ≤ 52.94
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

4-[(3-hydroxy-3-methylbut-1-ynyl)-methyl-phenylsilyl]-2-methylbut-3-yn-2-ol
CID 13211512
[2-[dimethyl(phenyl)silyl]-1,1,2,2-tetrafluoroethyl]-dimethyl-phenylsilane
CID 10926773
(2R,3R)-2-[dimethyl(phenyl)silyl]-3-methylpent-4-en-2-ol
CID 102406326
ethane;2,5,5-trimethylhex-3-yn-2-ylbenzene
CID 143798052
4-[dimethyl(phenyl)silyl]-2-methylbutan-2-ol
CID 14066704
dimethyl-(4-methyl-4-phenylpent-2-ynyl)-phenylsilane
CID 166442271
(E,3S)-3-[dimethyl(phenyl)silyl]-4-methylhex-4-en-3-ol
CID 154723365
dimethyl-phenyl-[(2S)-2-phenylbut-3-en-2-yl]silane
CID 71712694
1-(2-aminophenyl)-4,4-dimethyl-1-phenylpent-2-yn-1-ol
CID 23624782
tert-butyl-dimethyl-triphenylsilylsilane
CID 14143704
dimethyl(diphenyl)silane;2-phenylpropan-2-ylbenzene
CID 159821402
3,3-dimethylbut-1-ynyl(diphenyl)sulfanium
CID 10893590

Frequently Asked Questions

What is the IUPAC name of 2-[dimethyl(phenyl)silyl]-5,5-dimethylhex-3-yn-2-ol?
The IUPAC name of 2-[dimethyl(phenyl)silyl]-5,5-dimethylhex-3-yn-2-ol (CID 166442245) is 2-[dimethyl(phenyl)silyl]-5,5-dimethylhex-3-yn-2-ol.
What is the SMILES notation for 2-[dimethyl(phenyl)silyl]-5,5-dimethylhex-3-yn-2-ol?
The canonical SMILES for 2-[dimethyl(phenyl)silyl]-5,5-dimethylhex-3-yn-2-ol is CC(C)(C)C#CC(C)(O)[Si](C)(C)c1ccccc1.
What is the InChIKey of 2-[dimethyl(phenyl)silyl]-5,5-dimethylhex-3-yn-2-ol?
The InChIKey is SXRRELKPVVRIIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24OSi/c1-15(2,3)12-13-16(4,17)18(5,6)14-10-8-7-9-11-14/h7-11,17H,1-6H3.
What are the key properties of 2-[dimethyl(phenyl)silyl]-5,5-dimethylhex-3-yn-2-ol?
2-[dimethyl(phenyl)silyl]-5,5-dimethylhex-3-yn-2-ol has a molecular weight of 260.45 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[dimethyl(phenyl)silyl]-5,5-dimethylhex-3-yn-2-ol is sourced from PubChem (CID 166442245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).