(2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-sulfanylpropan-2-ol

C19H26O2SSi — CID 15451317

IUPAC(2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-sulfanylpropan-2-ol
SMILESCC(C)(C)[Si](OC[C@@H](O)CS)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H26O2SSi/c1-19(2,3)23(21-14-16(20)15-22,17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-13,16,20,22H,14-15H2,1-3H3/t16-/m1/s1
InChIKeyFMOJSIMEQAVCSV-MRXNPFEDSA-N
MW346.57 g/mol
LogP2.85
Rot. Bonds6

About (2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-sulfanylpropan-2-ol

(2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-sulfanylpropan-2-ol (PubChem CID 15451317) has the molecular formula C19H26O2SSi and a molecular weight of 346.57 g/mol. Its IUPAC name is (2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-sulfanylpropan-2-ol.

Molecular Properties

Compound Name(2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-sulfanylpropan-2-ol
PubChem CID15451317
Molecular FormulaC19H26O2SSi
Molecular Weight346.57 g/mol
Exact Mass346.14
IUPAC Name(2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-sulfanylpropan-2-ol
SMILESCC(C)(C)[Si](OC[C@@H](O)CS)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H26O2SSi/c1-19(2,3)23(21-14-16(20)15-22,17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-13,16,20,22H,14-15H2,1-3H3/t16-/m1/s1
InChIKeyFMOJSIMEQAVCSV-MRXNPFEDSA-N
XLogP2.85
TPSA29.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.57
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

(2R,5R)-1,6-bis[[tert-butyl(diphenyl)silyl]oxy]hexane-2,5-diol
CID 10746539
(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
(2S,4R)-5-[tert-butyl(diphenyl)silyl]oxy-2-methylpentane-1,4-diol
CID 11783644
(2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-phenylselanylpropan-2-ol
CID 11305910
(2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-hydroxypropanal
CID 11348036
methyl (3S)-4-[tert-butyl(diphenyl)silyl]oxy-3-hydroxybutanoate
CID 11749095
3-[tert-butyl(diphenyl)silyl]oxy-2-pyrimidin-2-ylpropane-1-thiol
CID 170983923
(2R)-1-[tert-butyl(diphenyl)silyl]oxy-5-methylhex-5-en-2-ol
CID 16736189
(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpropan-1-ol
CID 11771817
(2S,3R)-4-[tert-butyl(diphenyl)silyl]oxy-3-methylbutane-1,2-diol
CID 10904444
(4S,6S)-7-[tert-butyl(diphenyl)silyl]oxy-6-methylhept-1-en-4-ol
CID 132510490

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-sulfanylpropan-2-ol?
The IUPAC name of (2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-sulfanylpropan-2-ol (CID 15451317) is (2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-sulfanylpropan-2-ol.
What is the SMILES notation for (2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-sulfanylpropan-2-ol?
The canonical SMILES for (2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-sulfanylpropan-2-ol is CC(C)(C)[Si](OC[C@@H](O)CS)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-sulfanylpropan-2-ol?
The InChIKey is FMOJSIMEQAVCSV-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H26O2SSi/c1-19(2,3)23(21-14-16(20)15-22,17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-13,16,20,22H,14-15H2,1-3H3/t16-/m1/s1.
What are the key properties of (2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-sulfanylpropan-2-ol?
(2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-sulfanylpropan-2-ol has a molecular weight of 346.57 g/mol, XLogP of 2.85, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-sulfanylpropan-2-ol is sourced from PubChem (CID 15451317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).