(2S,3R)-3-[dimethyl(phenyl)silyl]-5-methyl-2-phenylsulfanylhexan-1-ol

C21H30OSSi — CID 10428506

IUPAC(2S,3R)-3-[dimethyl(phenyl)silyl]-5-methyl-2-phenylsulfanylhexan-1-ol
SMILESCC(C)C[C@H]([C@H](CO)Sc1ccccc1)[Si](C)(C)c1ccccc1
InChIInChI=1S/C21H30OSSi/c1-17(2)15-21(24(3,4)19-13-9-6-10-14-19)20(16-22)23-18-11-7-5-8-12-18/h5-14,17,20-22H,15-16H2,1-4H3/t20-,21+/m0/s1
InChIKeyUVBOONLNOOZFAV-LEWJYISDSA-N
MW358.62 g/mol
LogP5.17
Rot. Bonds8

About (2S,3R)-3-[dimethyl(phenyl)silyl]-5-methyl-2-phenylsulfanylhexan-1-ol

(2S,3R)-3-[dimethyl(phenyl)silyl]-5-methyl-2-phenylsulfanylhexan-1-ol (PubChem CID 10428506) has the molecular formula C21H30OSSi and a molecular weight of 358.62 g/mol. Its IUPAC name is (2S,3R)-3-[dimethyl(phenyl)silyl]-5-methyl-2-phenylsulfanylhexan-1-ol.

Molecular Properties

Compound Name(2S,3R)-3-[dimethyl(phenyl)silyl]-5-methyl-2-phenylsulfanylhexan-1-ol
PubChem CID10428506
Molecular FormulaC21H30OSSi
Molecular Weight358.62 g/mol
Exact Mass358.18
IUPAC Name(2S,3R)-3-[dimethyl(phenyl)silyl]-5-methyl-2-phenylsulfanylhexan-1-ol
SMILESCC(C)C[C@H]([C@H](CO)Sc1ccccc1)[Si](C)(C)c1ccccc1
InChIInChI=1S/C21H30OSSi/c1-17(2)15-21(24(3,4)19-13-9-6-10-14-19)20(16-22)23-18-11-7-5-8-12-18/h5-14,17,20-22H,15-16H2,1-4H3/t20-,21+/m0/s1
InChIKeyUVBOONLNOOZFAV-LEWJYISDSA-N
XLogP5.17
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.62
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S,3R)-3-[dimethyl(phenyl)silyl]-5-methyl-2-phenylsulfanylhexanal
CID 10428371
(2S,3R,4S)-2,6-dimethyl-4-phenylsulfanylheptane-1,3-diol
CID 101017386
3-amino-4-methyl-2-phenylsulfanylpentan-1-ol
CID 114369992
3-phenylsulfanylbutane-1,2,4-triol
CID 54001701
[chloro(phenylsulfanyl)methyl]-dimethyl-phenylsilane
CID 44542727
2-phenylsulfanyl-2-triphenylsilylethanol
CID 10938546
dimethyl-[(Z)-6-methylhept-2-en-4-yl]-phenylsilane
CID 15353782
(2S)-2-[dimethyl(phenyl)silyl]but-3-en-1-ol
CID 134955377
4-methyl-2-(2-phenylsulfanylethyl)pentan-1-ol
CID 79223402
[(2S)-butan-2-yl]sulfanylbenzene
CID 12812299
3-amino-2-(4-tert-butylphenyl)sulfanyl-5-methylhexan-1-ol
CID 114370279
hydroxy(triphenyl)silane;2-methylpropan-1-ol;titanium;dihydrate
CID 140942281

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-[dimethyl(phenyl)silyl]-5-methyl-2-phenylsulfanylhexan-1-ol?
The IUPAC name of (2S,3R)-3-[dimethyl(phenyl)silyl]-5-methyl-2-phenylsulfanylhexan-1-ol (CID 10428506) is (2S,3R)-3-[dimethyl(phenyl)silyl]-5-methyl-2-phenylsulfanylhexan-1-ol.
What is the SMILES notation for (2S,3R)-3-[dimethyl(phenyl)silyl]-5-methyl-2-phenylsulfanylhexan-1-ol?
The canonical SMILES for (2S,3R)-3-[dimethyl(phenyl)silyl]-5-methyl-2-phenylsulfanylhexan-1-ol is CC(C)C[C@H]([C@H](CO)Sc1ccccc1)[Si](C)(C)c1ccccc1.
What is the InChIKey of (2S,3R)-3-[dimethyl(phenyl)silyl]-5-methyl-2-phenylsulfanylhexan-1-ol?
The InChIKey is UVBOONLNOOZFAV-LEWJYISDSA-N. The full InChI is InChI=1S/C21H30OSSi/c1-17(2)15-21(24(3,4)19-13-9-6-10-14-19)20(16-22)23-18-11-7-5-8-12-18/h5-14,17,20-22H,15-16H2,1-4H3/t20-,21+/m0/s1.
What are the key properties of (2S,3R)-3-[dimethyl(phenyl)silyl]-5-methyl-2-phenylsulfanylhexan-1-ol?
(2S,3R)-3-[dimethyl(phenyl)silyl]-5-methyl-2-phenylsulfanylhexan-1-ol has a molecular weight of 358.62 g/mol, XLogP of 5.17, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-[dimethyl(phenyl)silyl]-5-methyl-2-phenylsulfanylhexan-1-ol is sourced from PubChem (CID 10428506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).