4-[dimethyl(phenyl)silyl]-1-phenylmethoxybut-3-yn-2-ol

C19H22O2Si — CID 10662769

IUPAC4-[dimethyl(phenyl)silyl]-1-phenylmethoxybut-3-yn-2-ol
SMILESC[Si](C)(C#CC(O)COCc1ccccc1)c1ccccc1
InChIInChI=1S/C19H22O2Si/c1-22(2,19-11-7-4-8-12-19)14-13-18(20)16-21-15-17-9-5-3-6-10-17/h3-12,18,20H,15-16H2,1-2H3
InChIKeyQCKOINDKHMLGAT-UHFFFAOYSA-N
MW310.47 g/mol
LogP2.72
Rot. Bonds5

About 4-[dimethyl(phenyl)silyl]-1-phenylmethoxybut-3-yn-2-ol

4-[dimethyl(phenyl)silyl]-1-phenylmethoxybut-3-yn-2-ol (PubChem CID 10662769) has the molecular formula C19H22O2Si and a molecular weight of 310.47 g/mol. Its IUPAC name is 4-[dimethyl(phenyl)silyl]-1-phenylmethoxybut-3-yn-2-ol.

Molecular Properties

Compound Name4-[dimethyl(phenyl)silyl]-1-phenylmethoxybut-3-yn-2-ol
PubChem CID10662769
Molecular FormulaC19H22O2Si
Molecular Weight310.47 g/mol
Exact Mass310.14
IUPAC Name4-[dimethyl(phenyl)silyl]-1-phenylmethoxybut-3-yn-2-ol
SMILESC[Si](C)(C#CC(O)COCc1ccccc1)c1ccccc1
InChIInChI=1S/C19H22O2Si/c1-22(2,19-11-7-4-8-12-19)14-13-18(20)16-21-15-17-9-5-3-6-10-17/h3-12,18,20H,15-16H2,1-2H3
InChIKeyQCKOINDKHMLGAT-UHFFFAOYSA-N
XLogP2.72
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.47
LogP ≤ 52.72
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

5-phenylmethoxy-1-trimethylsilylpent-1-yn-3-ol
CID 57078353
(2R)-4-(4-methylphenyl)-1-phenylmethoxybut-3-yn-2-ol
CID 14447497
(1R,2R,3R)-1-[dimethyl(phenyl)silyl]-4-phenylmethoxybutane-1,2,3-triol
CID 134901122
3-amino-3-methyl-1-phenylmethoxybutan-2-ol
CID 67509552
(2S)-1-phenylmethoxypropan-2-ol;(2R)-1-phenylmethoxypropan-2-ol
CID 162240108
2-phenylmethoxyethane-1,1-diol
CID 59866645
(2S,3S,4S,5S)-1-[dimethyl(phenyl)silyl]-3,4,6-tris(phenylmethoxy)hexane-2,5-diol
CID 10984659
(2R,3R,4R,5R)-1,6-bis(phenylmethoxy)hexane-2,3,4,5-tetrol
CID 10713667
(2R,3R)-1-phenylmethoxy-3-(phenylsulfanylmethyl)-5-trimethylsilylpent-4-yn-2-ol
CID 101124008
(2R,3S)-3-amino-1,4-bis(phenylmethoxy)butan-2-ol
CID 10881156
1-phenylmethoxy-2-(phenylmethoxymethyl)pentan-3-ol
CID 11688242
methyl (2R,3R)-3-hydroxy-2-methyl-4-phenylmethoxybutanoate
CID 11459047

Frequently Asked Questions

What is the IUPAC name of 4-[dimethyl(phenyl)silyl]-1-phenylmethoxybut-3-yn-2-ol?
The IUPAC name of 4-[dimethyl(phenyl)silyl]-1-phenylmethoxybut-3-yn-2-ol (CID 10662769) is 4-[dimethyl(phenyl)silyl]-1-phenylmethoxybut-3-yn-2-ol.
What is the SMILES notation for 4-[dimethyl(phenyl)silyl]-1-phenylmethoxybut-3-yn-2-ol?
The canonical SMILES for 4-[dimethyl(phenyl)silyl]-1-phenylmethoxybut-3-yn-2-ol is C[Si](C)(C#CC(O)COCc1ccccc1)c1ccccc1.
What is the InChIKey of 4-[dimethyl(phenyl)silyl]-1-phenylmethoxybut-3-yn-2-ol?
The InChIKey is QCKOINDKHMLGAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O2Si/c1-22(2,19-11-7-4-8-12-19)14-13-18(20)16-21-15-17-9-5-3-6-10-17/h3-12,18,20H,15-16H2,1-2H3.
What are the key properties of 4-[dimethyl(phenyl)silyl]-1-phenylmethoxybut-3-yn-2-ol?
4-[dimethyl(phenyl)silyl]-1-phenylmethoxybut-3-yn-2-ol has a molecular weight of 310.47 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[dimethyl(phenyl)silyl]-1-phenylmethoxybut-3-yn-2-ol is sourced from PubChem (CID 10662769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).