5-phenylmethoxy-1-trimethylsilylpent-1-yn-3-ol

C15H22O2Si — CID 57078353

IUPAC5-phenylmethoxy-1-trimethylsilylpent-1-yn-3-ol
SMILESC[Si](C)(C)C#CC(O)CCOCc1ccccc1
InChIInChI=1S/C15H22O2Si/c1-18(2,3)12-10-15(16)9-11-17-13-14-7-5-4-6-8-14/h4-8,15-16H,9,11,13H2,1-3H3
InChIKeyGXPAXLOERUBEQD-UHFFFAOYSA-N
MW262.43 g/mol
LogP2.84
Rot. Bonds5

About 5-phenylmethoxy-1-trimethylsilylpent-1-yn-3-ol

5-phenylmethoxy-1-trimethylsilylpent-1-yn-3-ol (PubChem CID 57078353) has the molecular formula C15H22O2Si and a molecular weight of 262.43 g/mol. Its IUPAC name is 5-phenylmethoxy-1-trimethylsilylpent-1-yn-3-ol.

Molecular Properties

Compound Name5-phenylmethoxy-1-trimethylsilylpent-1-yn-3-ol
PubChem CID57078353
Molecular FormulaC15H22O2Si
Molecular Weight262.43 g/mol
Exact Mass262.14
IUPAC Name5-phenylmethoxy-1-trimethylsilylpent-1-yn-3-ol
SMILESC[Si](C)(C)C#CC(O)CCOCc1ccccc1
InChIInChI=1S/C15H22O2Si/c1-18(2,3)12-10-15(16)9-11-17-13-14-7-5-4-6-8-14/h4-8,15-16H,9,11,13H2,1-3H3
InChIKeyGXPAXLOERUBEQD-UHFFFAOYSA-N
XLogP2.84
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.43
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

(3R,5R)-5-methyl-1-phenylmethoxy-7-trimethylsilylhept-6-yn-3-ol
CID 11456085
4-[dimethyl(phenyl)silyl]-1-phenylmethoxybut-3-yn-2-ol
CID 10662769
(3R)-1-phenylmethoxyhept-5-yn-3-ol
CID 142182731
(2S,3R)-2-methyl-5-phenylmethoxypentane-1,3-diol
CID 13113147
1-amino-3-phenylmethoxypropan-1-ol
CID 141197140
(4S)-9-phenylmethoxynon-5-yn-4-ol
CID 102048259
(4R)-1-phenylmethoxyhexane-3,4-diol
CID 165032455
(2S)-1,4-bis(phenylmethoxy)butan-2-ol
CID 14814227
5-methyl-1-phenylmethoxyhexan-3-ol
CID 121302735
(2R,3R)-1-phenylmethoxy-3-(phenylsulfanylmethyl)-5-trimethylsilylpent-4-yn-2-ol
CID 101124008
(3R)-5-phenylmethoxypentane-1,3-diol
CID 73332901
(2S)-2-hydroxy-4-phenylmethoxybutanoic acid
CID 15282429

Frequently Asked Questions

What is the IUPAC name of 5-phenylmethoxy-1-trimethylsilylpent-1-yn-3-ol?
The IUPAC name of 5-phenylmethoxy-1-trimethylsilylpent-1-yn-3-ol (CID 57078353) is 5-phenylmethoxy-1-trimethylsilylpent-1-yn-3-ol.
What is the SMILES notation for 5-phenylmethoxy-1-trimethylsilylpent-1-yn-3-ol?
The canonical SMILES for 5-phenylmethoxy-1-trimethylsilylpent-1-yn-3-ol is C[Si](C)(C)C#CC(O)CCOCc1ccccc1.
What is the InChIKey of 5-phenylmethoxy-1-trimethylsilylpent-1-yn-3-ol?
The InChIKey is GXPAXLOERUBEQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2Si/c1-18(2,3)12-10-15(16)9-11-17-13-14-7-5-4-6-8-14/h4-8,15-16H,9,11,13H2,1-3H3.
What are the key properties of 5-phenylmethoxy-1-trimethylsilylpent-1-yn-3-ol?
5-phenylmethoxy-1-trimethylsilylpent-1-yn-3-ol has a molecular weight of 262.43 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenylmethoxy-1-trimethylsilylpent-1-yn-3-ol is sourced from PubChem (CID 57078353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).