3-[(2R,3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyloxiran-2-yl]-1-phenylprop-2-yn-1-ol

C19H28O3Si — CID 101213440

IUPAC3-[(2R,3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyloxiran-2-yl]-1-phenylprop-2-yn-1-ol
SMILESCC(C)(C)[Si](C)(C)OC[C@@H]1O[C@]1(C)C#CC(O)c1ccccc1
InChIInChI=1S/C19H28O3Si/c1-18(2,3)23(5,6)21-14-17-19(4,22-17)13-12-16(20)15-10-8-7-9-11-15/h7-11,16-17,20H,14H2,1-6H3/t16?,17-,19+/m0/s1
InChIKeyVXFCRIDTNVAIGS-WFTITGEASA-N
MW332.52 g/mol
LogP3.90
Rot. Bonds4

About 3-[(2R,3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyloxiran-2-yl]-1-phenylprop-2-yn-1-ol

3-[(2R,3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyloxiran-2-yl]-1-phenylprop-2-yn-1-ol (PubChem CID 101213440) has the molecular formula C19H28O3Si and a molecular weight of 332.52 g/mol. Its IUPAC name is 3-[(2R,3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyloxiran-2-yl]-1-phenylprop-2-yn-1-ol.

Molecular Properties

Compound Name3-[(2R,3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyloxiran-2-yl]-1-phenylprop-2-yn-1-ol
PubChem CID101213440
Molecular FormulaC19H28O3Si
Molecular Weight332.52 g/mol
Exact Mass332.18
IUPAC Name3-[(2R,3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyloxiran-2-yl]-1-phenylprop-2-yn-1-ol
SMILESCC(C)(C)[Si](C)(C)OC[C@@H]1O[C@]1(C)C#CC(O)c1ccccc1
InChIInChI=1S/C19H28O3Si/c1-18(2,3)23(5,6)21-14-17-19(4,22-17)13-12-16(20)15-10-8-7-9-11-15/h7-11,16-17,20H,14H2,1-6H3/t16?,17-,19+/m0/s1
InChIKeyVXFCRIDTNVAIGS-WFTITGEASA-N
XLogP3.90
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.52
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl-[[3-[4-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyloxiran-2-yl]buta-1,3-diynyl]-3-methyloxiran-2-yl]methoxy]-dimethylsilane
CID 25224031
(S)-[(4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-phenylmethanol
CID 101493912
(1R)-6-[tert-butyl(dimethyl)silyl]oxy-1-phenylhexa-2,4-diyn-1-ol
CID 135020528
tert-butyl-dimethyl-[(2R)-4-[(2S,3R)-2-methyl-3-(phenylmethoxymethyl)oxiran-2-yl]but-3-yn-2-yl]oxysilane
CID 15019528
(R)-[(2R,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-(2-trimethylsilylethynyl)oxiran-2-yl]-phenylmethanol
CID 134930979
3-[tert-butyl(dimethyl)silyl]-1-phenylprop-2-yn-1-ol
CID 2760369
2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethanamine
CID 11459395
ethyl (4S)-4-[(4R,5S)-5-[(R)-[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-4-hydroxybut-2-ynoate
CID 11224692
ethyl (4S)-4-[(4S,5S)-5-[(S)-[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-4-hydroxybut-2-ynoate
CID 134931238
(2R)-4-[tert-butyl(dimethyl)silyl]oxy-1-phenylbutane-1,2-diol
CID 175760972
(2R)-2-[benzyl(hydroxy)amino]-2-[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]acetonitrile
CID 10501525
[(4S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-[(4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
CID 18647944

Frequently Asked Questions

What is the IUPAC name of 3-[(2R,3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyloxiran-2-yl]-1-phenylprop-2-yn-1-ol?
The IUPAC name of 3-[(2R,3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyloxiran-2-yl]-1-phenylprop-2-yn-1-ol (CID 101213440) is 3-[(2R,3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyloxiran-2-yl]-1-phenylprop-2-yn-1-ol.
What is the SMILES notation for 3-[(2R,3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyloxiran-2-yl]-1-phenylprop-2-yn-1-ol?
The canonical SMILES for 3-[(2R,3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyloxiran-2-yl]-1-phenylprop-2-yn-1-ol is CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@]1(C)C#CC(O)c1ccccc1.
What is the InChIKey of 3-[(2R,3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyloxiran-2-yl]-1-phenylprop-2-yn-1-ol?
The InChIKey is VXFCRIDTNVAIGS-WFTITGEASA-N. The full InChI is InChI=1S/C19H28O3Si/c1-18(2,3)23(5,6)21-14-17-19(4,22-17)13-12-16(20)15-10-8-7-9-11-15/h7-11,16-17,20H,14H2,1-6H3/t16?,17-,19+/m0/s1.
What are the key properties of 3-[(2R,3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyloxiran-2-yl]-1-phenylprop-2-yn-1-ol?
3-[(2R,3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyloxiran-2-yl]-1-phenylprop-2-yn-1-ol has a molecular weight of 332.52 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R,3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyloxiran-2-yl]-1-phenylprop-2-yn-1-ol is sourced from PubChem (CID 101213440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).