(2S)-4-[tert-butyl(diphenyl)silyl]oxy-1-[(2S)-2-methyloxiran-2-yl]butan-2-ol

C23H32O3Si — CID 11090300

IUPAC(2S)-4-[tert-butyl(diphenyl)silyl]oxy-1-[(2S)-2-methyloxiran-2-yl]butan-2-ol
SMILESCC(C)(C)[Si](OCC[C@H](O)C[C@@]1(C)CO1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H32O3Si/c1-22(2,3)27(20-11-7-5-8-12-20,21-13-9-6-10-14-21)26-16-15-19(24)17-23(4)18-25-23/h5-14,19,24H,15-18H2,1-4H3/t19-,23-/m0/s1
InChIKeyHYVVGJNKTMTWQD-CVDCTZTESA-N
MW384.59 g/mol
LogP3.49
Rot. Bonds8

About (2S)-4-[tert-butyl(diphenyl)silyl]oxy-1-[(2S)-2-methyloxiran-2-yl]butan-2-ol

(2S)-4-[tert-butyl(diphenyl)silyl]oxy-1-[(2S)-2-methyloxiran-2-yl]butan-2-ol (PubChem CID 11090300) has the molecular formula C23H32O3Si and a molecular weight of 384.59 g/mol. Its IUPAC name is (2S)-4-[tert-butyl(diphenyl)silyl]oxy-1-[(2S)-2-methyloxiran-2-yl]butan-2-ol.

Molecular Properties

Compound Name(2S)-4-[tert-butyl(diphenyl)silyl]oxy-1-[(2S)-2-methyloxiran-2-yl]butan-2-ol
PubChem CID11090300
Molecular FormulaC23H32O3Si
Molecular Weight384.59 g/mol
Exact Mass384.21
IUPAC Name(2S)-4-[tert-butyl(diphenyl)silyl]oxy-1-[(2S)-2-methyloxiran-2-yl]butan-2-ol
SMILESCC(C)(C)[Si](OCC[C@H](O)C[C@@]1(C)CO1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H32O3Si/c1-22(2,3)27(20-11-7-5-8-12-20,21-13-9-6-10-14-21)26-16-15-19(24)17-23(4)18-25-23/h5-14,19,24H,15-18H2,1-4H3/t19-,23-/m0/s1
InChIKeyHYVVGJNKTMTWQD-CVDCTZTESA-N
XLogP3.49
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.59
LogP ≤ 53.49
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'}

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Related Compounds

tert-butyl-[[(2S)-2-methyloxiran-2-yl]methoxy]-diphenylsilane
CID 11290341
(3R)-1-[tert-butyl(diphenyl)silyl]oxyhex-5-yn-3-ol
CID 23624368
(2R,5R)-1,6-bis[[tert-butyl(diphenyl)silyl]oxy]hexane-2,5-diol
CID 10746539
(3R)-1-[tert-butyl(diphenyl)silyl]oxytetradecan-3-ol
CID 10096198
(E,3S)-1-[tert-butyl(diphenyl)silyl]oxy-7-iodohept-6-en-3-ol
CID 155931189
(2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-chloropropan-2-ol
CID 124630717
1-[tert-butyl(diphenyl)silyl]oxy-3-methoxypropan-2-ol
CID 172588590
tert-butyl-(3,3-dimethoxypropoxy)-diphenylsilane
CID 11142897
(4S)-7-[tert-butyl(diphenyl)silyl]oxy-2-methylhept-1-en-4-ol
CID 11003481
2-[3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]oxetan-3-yl]ethanol
CID 177119133
(3R,5R)-1,5-bis[[tert-butyl(diphenyl)silyl]oxy]hept-6-yn-3-ol
CID 11342574
(1R)-5-[tert-butyl(diphenyl)silyl]oxy-1-[(5R)-5-methyl-2H-furan-5-yl]pentan-1-ol
CID 10002494

Frequently Asked Questions

What is the IUPAC name of (2S)-4-[tert-butyl(diphenyl)silyl]oxy-1-[(2S)-2-methyloxiran-2-yl]butan-2-ol?
The IUPAC name of (2S)-4-[tert-butyl(diphenyl)silyl]oxy-1-[(2S)-2-methyloxiran-2-yl]butan-2-ol (CID 11090300) is (2S)-4-[tert-butyl(diphenyl)silyl]oxy-1-[(2S)-2-methyloxiran-2-yl]butan-2-ol.
What is the SMILES notation for (2S)-4-[tert-butyl(diphenyl)silyl]oxy-1-[(2S)-2-methyloxiran-2-yl]butan-2-ol?
The canonical SMILES for (2S)-4-[tert-butyl(diphenyl)silyl]oxy-1-[(2S)-2-methyloxiran-2-yl]butan-2-ol is CC(C)(C)[Si](OCC[C@H](O)C[C@@]1(C)CO1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2S)-4-[tert-butyl(diphenyl)silyl]oxy-1-[(2S)-2-methyloxiran-2-yl]butan-2-ol?
The InChIKey is HYVVGJNKTMTWQD-CVDCTZTESA-N. The full InChI is InChI=1S/C23H32O3Si/c1-22(2,3)27(20-11-7-5-8-12-20,21-13-9-6-10-14-21)26-16-15-19(24)17-23(4)18-25-23/h5-14,19,24H,15-18H2,1-4H3/t19-,23-/m0/s1.
What are the key properties of (2S)-4-[tert-butyl(diphenyl)silyl]oxy-1-[(2S)-2-methyloxiran-2-yl]butan-2-ol?
(2S)-4-[tert-butyl(diphenyl)silyl]oxy-1-[(2S)-2-methyloxiran-2-yl]butan-2-ol has a molecular weight of 384.59 g/mol, XLogP of 3.49, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[tert-butyl(diphenyl)silyl]oxy-1-[(2S)-2-methyloxiran-2-yl]butan-2-ol is sourced from PubChem (CID 11090300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).