(R)-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-[(2S)-oxiran-2-yl]methanol

C15H24O3Si — CID 10989636

IUPAC(R)-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-[(2S)-oxiran-2-yl]methanol
SMILESCC(C)(C)[Si](C)(C)Oc1ccc([C@@H](O)[C@@H]2CO2)cc1
InChIInChI=1S/C15H24O3Si/c1-15(2,3)19(4,5)18-12-8-6-11(7-9-12)14(16)13-10-17-13/h6-9,13-14,16H,10H2,1-5H3/t13-,14+/m0/s1
InChIKeyJRPOURHFCQQRCW-UONOGXRCSA-N
MW280.44 g/mol
LogP3.50
Rot. Bonds4

About (R)-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-[(2S)-oxiran-2-yl]methanol

(R)-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-[(2S)-oxiran-2-yl]methanol (PubChem CID 10989636) has the molecular formula C15H24O3Si and a molecular weight of 280.44 g/mol. Its IUPAC name is (R)-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-[(2S)-oxiran-2-yl]methanol.

Molecular Properties

Compound Name(R)-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-[(2S)-oxiran-2-yl]methanol
PubChem CID10989636
Molecular FormulaC15H24O3Si
Molecular Weight280.44 g/mol
Exact Mass280.15
IUPAC Name(R)-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-[(2S)-oxiran-2-yl]methanol
SMILESCC(C)(C)[Si](C)(C)Oc1ccc([C@@H](O)[C@@H]2CO2)cc1
InChIInChI=1S/C15H24O3Si/c1-15(2,3)19(4,5)18-12-8-6-11(7-9-12)14(16)13-10-17-13/h6-9,13-14,16H,10H2,1-5H3/t13-,14+/m0/s1
InChIKeyJRPOURHFCQQRCW-UONOGXRCSA-N
XLogP3.50
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 53.50
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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Frequently Asked Questions

What is the IUPAC name of (R)-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-[(2S)-oxiran-2-yl]methanol?
The IUPAC name of (R)-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-[(2S)-oxiran-2-yl]methanol (CID 10989636) is (R)-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-[(2S)-oxiran-2-yl]methanol.
What is the SMILES notation for (R)-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-[(2S)-oxiran-2-yl]methanol?
The canonical SMILES for (R)-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-[(2S)-oxiran-2-yl]methanol is CC(C)(C)[Si](C)(C)Oc1ccc([C@@H](O)[C@@H]2CO2)cc1.
What is the InChIKey of (R)-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-[(2S)-oxiran-2-yl]methanol?
The InChIKey is JRPOURHFCQQRCW-UONOGXRCSA-N. The full InChI is InChI=1S/C15H24O3Si/c1-15(2,3)19(4,5)18-12-8-6-11(7-9-12)14(16)13-10-17-13/h6-9,13-14,16H,10H2,1-5H3/t13-,14+/m0/s1.
What are the key properties of (R)-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-[(2S)-oxiran-2-yl]methanol?
(R)-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-[(2S)-oxiran-2-yl]methanol has a molecular weight of 280.44 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-[(2S)-oxiran-2-yl]methanol is sourced from PubChem (CID 10989636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).