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

C35H58O2SSi — CID 10099552

IUPAC(2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-hexadecylsulfanylpropan-2-ol
SMILESCCCCCCCCCCCCCCCCSC[C@H](O)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C35H58O2SSi/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-24-29-38-31-32(36)30-37-39(35(2,3)4,33-25-20-18-21-26-33)34-27-22-19-23-28-34/h18-23,25-28,32,36H,5-17,24,29-31H2,1-4H3/t32-/m1/s1
InChIKeyUXIIKEZAELCINS-JGCGQSQUSA-N
MW571.00 g/mol
LogP9.14
Rot. Bonds22

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

(2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-hexadecylsulfanylpropan-2-ol (PubChem CID 10099552) has the molecular formula C35H58O2SSi and a molecular weight of 571.00 g/mol. Its IUPAC name is (2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-hexadecylsulfanylpropan-2-ol.

Molecular Properties

Compound Name(2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-hexadecylsulfanylpropan-2-ol
PubChem CID10099552
Molecular FormulaC35H58O2SSi
Molecular Weight571.00 g/mol
Exact Mass570.39
IUPAC Name(2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-hexadecylsulfanylpropan-2-ol
SMILESCCCCCCCCCCCCCCCCSC[C@H](O)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C35H58O2SSi/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-24-29-38-31-32(36)30-37-39(35(2,3)4,33-25-20-18-21-26-33)34-27-22-19-23-28-34/h18-23,25-28,32,36H,5-17,24,29-31H2,1-4H3/t32-/m1/s1
InChIKeyUXIIKEZAELCINS-JGCGQSQUSA-N
XLogP9.14
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds22
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500571.00
LogP ≤ 59.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-[(2R,5S)-5-butylsulfanylhexan-2-yl]oxy-diphenylsilane
CID 134846418
4-[Tert-butyl(diphenyl)silyl]oxy-1-(1,3-dithiolan-2-yl)tetradecan-3-ol
CID 134906130
(2S,3S)-1-[tert-butyl(diphenyl)silyl]oxy-3-(1,3-dithian-2-yl)butan-2-ol
CID 134936237
(2S,3R)-1-[tert-butyl(diphenyl)silyl]oxy-3-(1,3-dithian-2-yl)pent-4-en-2-ol
CID 134936259
(E,2S)-1-[tert-butyl(diphenyl)silyl]oxy-5-[2-tri(propan-2-yl)silyl-1,3-dithian-2-yl]pent-3-en-2-ol
CID 134937020
Tert-butyl-diphenyl-(thian-4-yloxy)silane
CID 15936419
1-[Tert-butyl(dimethyl)silyl]oxy-3-tritylsulfanylpropan-2-ol
CID 14285895
1-[3-[[[3-[2-hydroxy-3-[(E)-3-phenylprop-2-enyl]sulfanylpropoxy]propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]-3-[(E)-3-phenylprop-2-enyl]sulfanylpropan-2-ol
CID 20804905
1-t-BUTYLDIPHENYLSILYLOXY-3-MERCAPTO-2-PROPANOL
CID 21255877
(2S,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,3-dithiolan-4-ol
CID 53871888
(2S,4S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,3-dithiolan-4-ol
CID 53871889
2-[[Tert-butyl(diphenyl)silyl]oxymethyl]-1,3-dithiolan-4-ol
CID 53871890

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-hexadecylsulfanylpropan-2-ol?
The IUPAC name of (2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-hexadecylsulfanylpropan-2-ol (CID 10099552) is (2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-hexadecylsulfanylpropan-2-ol.
What is the SMILES notation for (2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-hexadecylsulfanylpropan-2-ol?
The canonical SMILES for (2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-hexadecylsulfanylpropan-2-ol is CCCCCCCCCCCCCCCCSC[C@H](O)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of (2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-hexadecylsulfanylpropan-2-ol?
The InChIKey is UXIIKEZAELCINS-JGCGQSQUSA-N. The full InChI is InChI=1S/C35H58O2SSi/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-24-29-38-31-32(36)30-37-39(35(2,3)4,33-25-20-18-21-26-33)34-27-22-19-23-28-34/h18-23,25-28,32,36H,5-17,24,29-31H2,1-4H3/t32-/m1/s1.
What are the key properties of (2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-hexadecylsulfanylpropan-2-ol?
(2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-hexadecylsulfanylpropan-2-ol has a molecular weight of 571.00 g/mol, XLogP of 9.14, 22 rotatable bonds, 1 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-hexadecylsulfanylpropan-2-ol is sourced from PubChem (CID 10099552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).