4-[(3-hydroxy-3-methylbut-1-ynyl)-methyl-phenylsilyl]-2-methylbut-3-yn-2-ol

C17H22O2Si — CID 13211512

IUPAC4-[(3-hydroxy-3-methylbut-1-ynyl)-methyl-phenylsilyl]-2-methylbut-3-yn-2-ol
SMILESCC(C)(O)C#C[Si](C)(C#CC(C)(C)O)c1ccccc1
InChIInChI=1S/C17H22O2Si/c1-16(2,18)11-13-20(5,14-12-17(3,4)19)15-9-7-6-8-10-15/h6-10,18-19H,1-5H3
InChIKeyRNHJWNDNGMMFKN-UHFFFAOYSA-N
MW286.45 g/mol
LogP1.60
Rot. Bonds1

About 4-[(3-hydroxy-3-methylbut-1-ynyl)-methyl-phenylsilyl]-2-methylbut-3-yn-2-ol

4-[(3-hydroxy-3-methylbut-1-ynyl)-methyl-phenylsilyl]-2-methylbut-3-yn-2-ol (PubChem CID 13211512) has the molecular formula C17H22O2Si and a molecular weight of 286.45 g/mol. Its IUPAC name is 4-[(3-hydroxy-3-methylbut-1-ynyl)-methyl-phenylsilyl]-2-methylbut-3-yn-2-ol.

Molecular Properties

Compound Name4-[(3-hydroxy-3-methylbut-1-ynyl)-methyl-phenylsilyl]-2-methylbut-3-yn-2-ol
PubChem CID13211512
Molecular FormulaC17H22O2Si
Molecular Weight286.45 g/mol
Exact Mass286.14
IUPAC Name4-[(3-hydroxy-3-methylbut-1-ynyl)-methyl-phenylsilyl]-2-methylbut-3-yn-2-ol
SMILESCC(C)(O)C#C[Si](C)(C#CC(C)(C)O)c1ccccc1
InChIInChI=1S/C17H22O2Si/c1-16(2,18)11-13-20(5,14-12-17(3,4)19)15-9-7-6-8-10-15/h6-10,18-19H,1-5H3
InChIKeyRNHJWNDNGMMFKN-UHFFFAOYSA-N
XLogP1.60
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.45
LogP ≤ 51.60
H-Bond Donors ≤ 52
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

2-[dimethyl(phenyl)silyl]-5,5-dimethylhex-3-yn-2-ol
CID 166442245
4-(3-hydroxybut-1-ynyl-methyl-phenylsilyl)but-3-yn-2-ol
CID 71399348
ethynyl-[2-(ethynyl-methyl-phenylsilyl)ethynyl]-methyl-phenylsilane
CID 139653371
bis(dihydroxy(diphenyl)phosphanium);2,5-dimethylhex-3-yne-2,5-diol
CID 175697648
(Z)-2-methyl-6-phenyl-5-trimethylsilylhex-5-en-3-yn-2-ol
CID 56840260
(E)-2-methyl-4-triphenylsilylbut-3-en-2-ol
CID 10593584
4-[dimethyl(phenyl)silyl]-2-methylbutan-2-ol
CID 14066704
tert-butyl-(tert-butyl-phenyl-sulfanylsilyl)-phenyl-sulfanylsilane
CID 11146477
3-phenyl-1-trimethylsilyl-5-tri(propan-2-yl)silylpenta-1,4-diyn-3-ol
CID 165389065
trimethyl-(3-methyl-3-phenylbut-1-ynyl)silane
CID 68608831
dimethyl(diphenyl)silane;2-phenylpropan-2-ylbenzene
CID 159821402
tert-butyl-dimethyl-triphenylsilylsilane
CID 14143704

Frequently Asked Questions

What is the IUPAC name of 4-[(3-hydroxy-3-methylbut-1-ynyl)-methyl-phenylsilyl]-2-methylbut-3-yn-2-ol?
The IUPAC name of 4-[(3-hydroxy-3-methylbut-1-ynyl)-methyl-phenylsilyl]-2-methylbut-3-yn-2-ol (CID 13211512) is 4-[(3-hydroxy-3-methylbut-1-ynyl)-methyl-phenylsilyl]-2-methylbut-3-yn-2-ol.
What is the SMILES notation for 4-[(3-hydroxy-3-methylbut-1-ynyl)-methyl-phenylsilyl]-2-methylbut-3-yn-2-ol?
The canonical SMILES for 4-[(3-hydroxy-3-methylbut-1-ynyl)-methyl-phenylsilyl]-2-methylbut-3-yn-2-ol is CC(C)(O)C#C[Si](C)(C#CC(C)(C)O)c1ccccc1.
What is the InChIKey of 4-[(3-hydroxy-3-methylbut-1-ynyl)-methyl-phenylsilyl]-2-methylbut-3-yn-2-ol?
The InChIKey is RNHJWNDNGMMFKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22O2Si/c1-16(2,18)11-13-20(5,14-12-17(3,4)19)15-9-7-6-8-10-15/h6-10,18-19H,1-5H3.
What are the key properties of 4-[(3-hydroxy-3-methylbut-1-ynyl)-methyl-phenylsilyl]-2-methylbut-3-yn-2-ol?
4-[(3-hydroxy-3-methylbut-1-ynyl)-methyl-phenylsilyl]-2-methylbut-3-yn-2-ol has a molecular weight of 286.45 g/mol, XLogP of 1.60, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-hydroxy-3-methylbut-1-ynyl)-methyl-phenylsilyl]-2-methylbut-3-yn-2-ol is sourced from PubChem (CID 13211512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).