[(3S)-3-[3-[tert-butyl(diphenyl)silyl]oxypropyl]oxiran-2-yl]methanol

C22H30O3Si — CID 135021145

IUPAC[(3S)-3-[3-[tert-butyl(diphenyl)silyl]oxypropyl]oxiran-2-yl]methanol
SMILESCC(C)(C)[Si](OCCC[C@@H]1OC1CO)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H30O3Si/c1-22(2,3)26(18-11-6-4-7-12-18,19-13-8-5-9-14-19)24-16-10-15-20-21(17-23)25-20/h4-9,11-14,20-21,23H,10,15-17H2,1-3H3/t20-,21?/m0/s1
InChIKeyBQVGEAMUMPAUCW-BGERDNNASA-N
MW370.56 g/mol
LogP3.10
Rot. Bonds8

About [(3S)-3-[3-[tert-butyl(diphenyl)silyl]oxypropyl]oxiran-2-yl]methanol

[(3S)-3-[3-[tert-butyl(diphenyl)silyl]oxypropyl]oxiran-2-yl]methanol (PubChem CID 135021145) has the molecular formula C22H30O3Si and a molecular weight of 370.56 g/mol. Its IUPAC name is [(3S)-3-[3-[tert-butyl(diphenyl)silyl]oxypropyl]oxiran-2-yl]methanol.

Molecular Properties

Compound Name[(3S)-3-[3-[tert-butyl(diphenyl)silyl]oxypropyl]oxiran-2-yl]methanol
PubChem CID135021145
Molecular FormulaC22H30O3Si
Molecular Weight370.56 g/mol
Exact Mass370.20
IUPAC Name[(3S)-3-[3-[tert-butyl(diphenyl)silyl]oxypropyl]oxiran-2-yl]methanol
SMILESCC(C)(C)[Si](OCCC[C@@H]1OC1CO)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H30O3Si/c1-22(2,3)26(18-11-6-4-7-12-18,19-13-8-5-9-14-19)24-16-10-15-20-21(17-23)25-20/h4-9,11-14,20-21,23H,10,15-17H2,1-3H3/t20-,21?/m0/s1
InChIKeyBQVGEAMUMPAUCW-BGERDNNASA-N
XLogP3.10
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.56
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-diphenyl-[3-[(2R,3R)-3-(2-trimethylsilylethynyl)oxiran-2-yl]propoxy]silane
CID 23240933
[(2S,3R)-3-[3-[tert-butyl(diphenyl)silyl]oxypropyl]oxiran-2-yl]methyl N-benzylcarbamate
CID 10994736
3-[tert-butyl(diphenyl)silyl]oxypropan-1-ol;propane-1,3-diol
CID 161331009
[(2S,3R,5R)-4-acetyloxy-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-(hydroxymethyl)oxolan-3-yl] acetate
CID 58592657
12-[tert-butyl(diphenyl)silyl]oxydodecan-1-ol
CID 11015684
tert-butyl-diphenyl-[[(2S,3R)-3-[[(2S,3R)-3-undecyloxiran-2-yl]methyl]oxiran-2-yl]methoxy]silane
CID 11145784
2-[4-[tert-butyl(diphenyl)silyl]oxybutoxy]ethanol
CID 156707018
tert-butyl 3-[(2R,3R)-3-[3-[tert-butyl(diphenyl)silyl]oxypropyl]oxiran-2-yl]-3-hydroxypropanoate
CID 101042951
tert-butyl-[3-[(2S,3S)-3-methoxyoxan-2-yl]propoxy]-diphenylsilane
CID 23240942
3-bromopropoxy-tert-butyl-diphenylsilane
CID 11245865
7-[tert-butyl(diphenyl)silyl]oxy-2-methylheptan-2-ol
CID 102173958
tert-butyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(2R,3R)-3-[3-[tert-butyl(diphenyl)silyl]oxypropyl]oxiran-2-yl]propanoate
CID 11028378

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-[3-[tert-butyl(diphenyl)silyl]oxypropyl]oxiran-2-yl]methanol?
The IUPAC name of [(3S)-3-[3-[tert-butyl(diphenyl)silyl]oxypropyl]oxiran-2-yl]methanol (CID 135021145) is [(3S)-3-[3-[tert-butyl(diphenyl)silyl]oxypropyl]oxiran-2-yl]methanol.
What is the SMILES notation for [(3S)-3-[3-[tert-butyl(diphenyl)silyl]oxypropyl]oxiran-2-yl]methanol?
The canonical SMILES for [(3S)-3-[3-[tert-butyl(diphenyl)silyl]oxypropyl]oxiran-2-yl]methanol is CC(C)(C)[Si](OCCC[C@@H]1OC1CO)(c1ccccc1)c1ccccc1.
What is the InChIKey of [(3S)-3-[3-[tert-butyl(diphenyl)silyl]oxypropyl]oxiran-2-yl]methanol?
The InChIKey is BQVGEAMUMPAUCW-BGERDNNASA-N. The full InChI is InChI=1S/C22H30O3Si/c1-22(2,3)26(18-11-6-4-7-12-18,19-13-8-5-9-14-19)24-16-10-15-20-21(17-23)25-20/h4-9,11-14,20-21,23H,10,15-17H2,1-3H3/t20-,21?/m0/s1.
What are the key properties of [(3S)-3-[3-[tert-butyl(diphenyl)silyl]oxypropyl]oxiran-2-yl]methanol?
[(3S)-3-[3-[tert-butyl(diphenyl)silyl]oxypropyl]oxiran-2-yl]methanol has a molecular weight of 370.56 g/mol, XLogP of 3.10, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-[3-[tert-butyl(diphenyl)silyl]oxypropyl]oxiran-2-yl]methanol is sourced from PubChem (CID 135021145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).