[(2S,3R,5R)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-hydroxythiolan-2-yl]-phenylmethanone

C19H30O3SSi — CID 15605758

IUPAC[(2S,3R,5R)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-hydroxythiolan-2-yl]-phenylmethanone
SMILESCC(C)(C)[Si](C)(C)OCC[C@@H]1C[C@@H](O)[C@@H](C(=O)c2ccccc2)S1
InChIInChI=1S/C19H30O3SSi/c1-19(2,3)24(4,5)22-12-11-15-13-16(20)18(23-15)17(21)14-9-7-6-8-10-14/h6-10,15-16,18,20H,11-13H2,1-5H3/t15-,16-,18+/m1/s1
InChIKeySRKYTNGJIPYWPI-NUJGCVRESA-N
MW366.60 g/mol
LogP4.52
Rot. Bonds6

About [(2S,3R,5R)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-hydroxythiolan-2-yl]-phenylmethanone

[(2S,3R,5R)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-hydroxythiolan-2-yl]-phenylmethanone (PubChem CID 15605758) has the molecular formula C19H30O3SSi and a molecular weight of 366.60 g/mol. Its IUPAC name is [(2S,3R,5R)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-hydroxythiolan-2-yl]-phenylmethanone.

Molecular Properties

Compound Name[(2S,3R,5R)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-hydroxythiolan-2-yl]-phenylmethanone
PubChem CID15605758
Molecular FormulaC19H30O3SSi
Molecular Weight366.60 g/mol
Exact Mass366.17
IUPAC Name[(2S,3R,5R)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-hydroxythiolan-2-yl]-phenylmethanone
SMILESCC(C)(C)[Si](C)(C)OCC[C@@H]1C[C@@H](O)[C@@H](C(=O)c2ccccc2)S1
InChIInChI=1S/C19H30O3SSi/c1-19(2,3)24(4,5)22-12-11-15-13-16(20)18(23-15)17(21)14-9-7-6-8-10-14/h6-10,15-16,18,20H,11-13H2,1-5H3/t15-,16-,18+/m1/s1
InChIKeySRKYTNGJIPYWPI-NUJGCVRESA-N
XLogP4.52
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.60
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2S,3R,5R)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-hydroxythiolan-2-yl]-phenylmethanone?
The IUPAC name of [(2S,3R,5R)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-hydroxythiolan-2-yl]-phenylmethanone (CID 15605758) is [(2S,3R,5R)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-hydroxythiolan-2-yl]-phenylmethanone.
What is the SMILES notation for [(2S,3R,5R)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-hydroxythiolan-2-yl]-phenylmethanone?
The canonical SMILES for [(2S,3R,5R)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-hydroxythiolan-2-yl]-phenylmethanone is CC(C)(C)[Si](C)(C)OCC[C@@H]1C[C@@H](O)[C@@H](C(=O)c2ccccc2)S1.
What is the InChIKey of [(2S,3R,5R)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-hydroxythiolan-2-yl]-phenylmethanone?
The InChIKey is SRKYTNGJIPYWPI-NUJGCVRESA-N. The full InChI is InChI=1S/C19H30O3SSi/c1-19(2,3)24(4,5)22-12-11-15-13-16(20)18(23-15)17(21)14-9-7-6-8-10-14/h6-10,15-16,18,20H,11-13H2,1-5H3/t15-,16-,18+/m1/s1.
What are the key properties of [(2S,3R,5R)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-hydroxythiolan-2-yl]-phenylmethanone?
[(2S,3R,5R)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-hydroxythiolan-2-yl]-phenylmethanone has a molecular weight of 366.60 g/mol, XLogP of 4.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R,5R)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-hydroxythiolan-2-yl]-phenylmethanone is sourced from PubChem (CID 15605758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).