(2S)-1-[(Z)-2-phenyl-2-tri(propan-2-yl)silyloxyethenyl]sulfanylpropan-2-ol

C20H34O2SSi — CID 135067896

IUPAC(2S)-1-[(Z)-2-phenyl-2-tri(propan-2-yl)silyloxyethenyl]sulfanylpropan-2-ol
SMILESCC(C)[Si](O/C(=C\SC[C@H](C)O)c1ccccc1)(C(C)C)C(C)C
InChIInChI=1S/C20H34O2SSi/c1-15(2)24(16(3)4,17(5)6)22-20(14-23-13-18(7)21)19-11-9-8-10-12-19/h8-12,14-18,21H,13H2,1-7H3/b20-14-/t18-/m0/s1
InChIKeyIGHSTZYUQRWXQY-HJHGFDQJSA-N
MW366.64 g/mol
LogP6.29
Rot. Bonds9

About (2S)-1-[(Z)-2-phenyl-2-tri(propan-2-yl)silyloxyethenyl]sulfanylpropan-2-ol

(2S)-1-[(Z)-2-phenyl-2-tri(propan-2-yl)silyloxyethenyl]sulfanylpropan-2-ol (PubChem CID 135067896) has the molecular formula C20H34O2SSi and a molecular weight of 366.64 g/mol. Its IUPAC name is (2S)-1-[(Z)-2-phenyl-2-tri(propan-2-yl)silyloxyethenyl]sulfanylpropan-2-ol.

Molecular Properties

Compound Name(2S)-1-[(Z)-2-phenyl-2-tri(propan-2-yl)silyloxyethenyl]sulfanylpropan-2-ol
PubChem CID135067896
Molecular FormulaC20H34O2SSi
Molecular Weight366.64 g/mol
Exact Mass366.20
IUPAC Name(2S)-1-[(Z)-2-phenyl-2-tri(propan-2-yl)silyloxyethenyl]sulfanylpropan-2-ol
SMILESCC(C)[Si](O/C(=C\SC[C@H](C)O)c1ccccc1)(C(C)C)C(C)C
InChIInChI=1S/C20H34O2SSi/c1-15(2)24(16(3)4,17(5)6)22-20(14-23-13-18(7)21)19-11-9-8-10-12-19/h8-12,14-18,21H,13H2,1-7H3/b20-14-/t18-/m0/s1
InChIKeyIGHSTZYUQRWXQY-HJHGFDQJSA-N
XLogP6.29
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.64
LogP ≤ 56.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

1-Phenyl-2-(methylthio)ethanol
CID 3014579
2-(Dodecylsulfinyl)-1-phenylethanol
CID 3660327
tert-Butyl-[2-(tertbutyldimethylsilyl)oxy-1-phenylethoxy]dimethylsilane
CID 11100658
(R)-2-((2-((Tert-butyldimethylsilyl)oxy)-2-(4-fluorophenyl)ethyl)thio)acetic acid
CID 59326673
Dimethyl-oct-1-en-2-yl-(1-phenylbut-3-enoxy)silane
CID 11370512
(2-(Dimethyl(4-(methylsulfanyl)phenyl)silyl)phenyl)methanol
CID 57416883
[(Z)-1-ethylsulfanyl-2-phenylmethoxyethenoxy]-trimethylsilane
CID 11033338
(3Z)-1-phenyl-4-triethylsilyloxyhexa-3,5-dien-1-ol
CID 12749296
1-[Tert-butyl(dimethyl)silyl]oxy-1-phenylhex-5-en-3-ol
CID 73222990
3,3-Bis(methylsulfanyl)-1-phenylpropan-1-ol
CID 101604282
2-(Tert-butyl-dimethyl-silanyloxy)-2-phenyl-ethanol
CID 11780000
1-Phenyl-2-tri(propan-2-yl)silyloxyethanol
CID 85273419

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(Z)-2-phenyl-2-tri(propan-2-yl)silyloxyethenyl]sulfanylpropan-2-ol?
The IUPAC name of (2S)-1-[(Z)-2-phenyl-2-tri(propan-2-yl)silyloxyethenyl]sulfanylpropan-2-ol (CID 135067896) is (2S)-1-[(Z)-2-phenyl-2-tri(propan-2-yl)silyloxyethenyl]sulfanylpropan-2-ol.
What is the SMILES notation for (2S)-1-[(Z)-2-phenyl-2-tri(propan-2-yl)silyloxyethenyl]sulfanylpropan-2-ol?
The canonical SMILES for (2S)-1-[(Z)-2-phenyl-2-tri(propan-2-yl)silyloxyethenyl]sulfanylpropan-2-ol is CC(C)[Si](O/C(=C\SC[C@H](C)O)c1ccccc1)(C(C)C)C(C)C.
What is the InChIKey of (2S)-1-[(Z)-2-phenyl-2-tri(propan-2-yl)silyloxyethenyl]sulfanylpropan-2-ol?
The InChIKey is IGHSTZYUQRWXQY-HJHGFDQJSA-N. The full InChI is InChI=1S/C20H34O2SSi/c1-15(2)24(16(3)4,17(5)6)22-20(14-23-13-18(7)21)19-11-9-8-10-12-19/h8-12,14-18,21H,13H2,1-7H3/b20-14-/t18-/m0/s1.
What are the key properties of (2S)-1-[(Z)-2-phenyl-2-tri(propan-2-yl)silyloxyethenyl]sulfanylpropan-2-ol?
(2S)-1-[(Z)-2-phenyl-2-tri(propan-2-yl)silyloxyethenyl]sulfanylpropan-2-ol has a molecular weight of 366.64 g/mol, XLogP of 6.29, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(Z)-2-phenyl-2-tri(propan-2-yl)silyloxyethenyl]sulfanylpropan-2-ol is sourced from PubChem (CID 135067896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).