(1R)-2-phenyl-1-[(2S,3S)-3-trimethylsilyloxiran-2-yl]ethanol

C13H20O2Si — CID 134987697

IUPAC(1R)-2-phenyl-1-[(2S,3S)-3-trimethylsilyloxiran-2-yl]ethanol
SMILESC[Si](C)(C)[C@@H]1O[C@H]1[C@H](O)Cc1ccccc1
InChIInChI=1S/C13H20O2Si/c1-16(2,3)13-12(15-13)11(14)9-10-7-5-4-6-8-10/h4-8,11-14H,9H2,1-3H3/t11-,12+,13+/m1/s1
InChIKeyWSKIGUIIGMDUKH-AGIUHOORSA-N
MW236.39 g/mol
LogP2.23
Rot. Bonds4

About (1R)-2-phenyl-1-[(2S,3S)-3-trimethylsilyloxiran-2-yl]ethanol

(1R)-2-phenyl-1-[(2S,3S)-3-trimethylsilyloxiran-2-yl]ethanol (PubChem CID 134987697) has the molecular formula C13H20O2Si and a molecular weight of 236.39 g/mol. Its IUPAC name is (1R)-2-phenyl-1-[(2S,3S)-3-trimethylsilyloxiran-2-yl]ethanol.

Molecular Properties

Compound Name(1R)-2-phenyl-1-[(2S,3S)-3-trimethylsilyloxiran-2-yl]ethanol
PubChem CID134987697
Molecular FormulaC13H20O2Si
Molecular Weight236.39 g/mol
Exact Mass236.12
IUPAC Name(1R)-2-phenyl-1-[(2S,3S)-3-trimethylsilyloxiran-2-yl]ethanol
SMILESC[Si](C)(C)[C@@H]1O[C@H]1[C@H](O)Cc1ccccc1
InChIInChI=1S/C13H20O2Si/c1-16(2,3)13-12(15-13)11(14)9-10-7-5-4-6-8-10/h4-8,11-14H,9H2,1-3H3/t11-,12+,13+/m1/s1
InChIKeyWSKIGUIIGMDUKH-AGIUHOORSA-N
XLogP2.23
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.39
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

1-[(2S)-oxiran-2-yl]-2-phenylethanol
CID 54466399
(5S)-5-[(1R)-1-hydroxy-2-phenylethyl]oxolan-2-one
CID 10867470
1-(1,3-dioxolan-2-yl)-2-phenylethanol
CID 10241725
(2S,3R,4S,5S,6R)-3,4-dibenzyl-6-(1-hydroxy-2-phenylethyl)-2-methoxyoxane-3,4,5-triol
CID 68849451
1-(oxolan-2-yl)-2-phenylethanol
CID 65331018
1-(1,4-dioxan-2-yl)-2-phenylethanol
CID 57153812
(1R)-1-cyclopentyl-2-phenylethanol
CID 39238299
(2S,3S)-3-methyl-4-phenylbutan-2-ol
CID 11194521
(3R,4S,5S)-5-(1-hydroxy-2-phenylethyl)-4-(phenylmethoxymethyl)oxolan-3-ol
CID 57302482
1,1-difluoro-3-phenylpropan-2-ol
CID 15085378
2-phenyl-1-trimethylsilylethanethiol
CID 3849322
sodium;hydride;1-phenylpropan-2-ol
CID 175039142

Frequently Asked Questions

What is the IUPAC name of (1R)-2-phenyl-1-[(2S,3S)-3-trimethylsilyloxiran-2-yl]ethanol?
The IUPAC name of (1R)-2-phenyl-1-[(2S,3S)-3-trimethylsilyloxiran-2-yl]ethanol (CID 134987697) is (1R)-2-phenyl-1-[(2S,3S)-3-trimethylsilyloxiran-2-yl]ethanol.
What is the SMILES notation for (1R)-2-phenyl-1-[(2S,3S)-3-trimethylsilyloxiran-2-yl]ethanol?
The canonical SMILES for (1R)-2-phenyl-1-[(2S,3S)-3-trimethylsilyloxiran-2-yl]ethanol is C[Si](C)(C)[C@@H]1O[C@H]1[C@H](O)Cc1ccccc1.
What is the InChIKey of (1R)-2-phenyl-1-[(2S,3S)-3-trimethylsilyloxiran-2-yl]ethanol?
The InChIKey is WSKIGUIIGMDUKH-AGIUHOORSA-N. The full InChI is InChI=1S/C13H20O2Si/c1-16(2,3)13-12(15-13)11(14)9-10-7-5-4-6-8-10/h4-8,11-14H,9H2,1-3H3/t11-,12+,13+/m1/s1.
What are the key properties of (1R)-2-phenyl-1-[(2S,3S)-3-trimethylsilyloxiran-2-yl]ethanol?
(1R)-2-phenyl-1-[(2S,3S)-3-trimethylsilyloxiran-2-yl]ethanol has a molecular weight of 236.39 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-phenyl-1-[(2S,3S)-3-trimethylsilyloxiran-2-yl]ethanol is sourced from PubChem (CID 134987697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).