(2R)-2-[(R)-(4-methylphenyl)sulfinyl]-1-trimethylsilyloctan-3-ol

C18H32O2SSi — CID 10569182

IUPAC(2R)-2-[(R)-(4-methylphenyl)sulfinyl]-1-trimethylsilyloctan-3-ol
SMILESCCCCCC(O)[C@H](C[Si](C)(C)C)[S@@](=O)c1ccc(C)cc1
InChIInChI=1S/C18H32O2SSi/c1-6-7-8-9-17(19)18(14-22(3,4)5)21(20)16-12-10-15(2)11-13-16/h10-13,17-19H,6-9,14H2,1-5H3/t17?,18-,21-/m0/s1
InChIKeyPGUIQSUKMNFCSQ-VLQCZPCNSA-N
MW340.61 g/mol
LogP4.75
Rot. Bonds9

About (2R)-2-[(R)-(4-methylphenyl)sulfinyl]-1-trimethylsilyloctan-3-ol

(2R)-2-[(R)-(4-methylphenyl)sulfinyl]-1-trimethylsilyloctan-3-ol (PubChem CID 10569182) has the molecular formula C18H32O2SSi and a molecular weight of 340.61 g/mol. Its IUPAC name is (2R)-2-[(R)-(4-methylphenyl)sulfinyl]-1-trimethylsilyloctan-3-ol.

Molecular Properties

Compound Name(2R)-2-[(R)-(4-methylphenyl)sulfinyl]-1-trimethylsilyloctan-3-ol
PubChem CID10569182
Molecular FormulaC18H32O2SSi
Molecular Weight340.61 g/mol
Exact Mass340.19
IUPAC Name(2R)-2-[(R)-(4-methylphenyl)sulfinyl]-1-trimethylsilyloctan-3-ol
SMILESCCCCCC(O)[C@H](C[Si](C)(C)C)[S@@](=O)c1ccc(C)cc1
InChIInChI=1S/C18H32O2SSi/c1-6-7-8-9-17(19)18(14-22(3,4)5)21(20)16-12-10-15(2)11-13-16/h10-13,17-19H,6-9,14H2,1-5H3/t17?,18-,21-/m0/s1
InChIKeyPGUIQSUKMNFCSQ-VLQCZPCNSA-N
XLogP4.75
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.61
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

(2R,3S,4R)-3-methyl-1-(4-methylphenyl)sulfinyldecane-2,4-diol
CID 102414482
propan-2-yl 2-[(R)-(4-methylphenyl)sulfinyl]hexadecanoate
CID 10982981
(2R,3R,11Z)-3-hydroxy-2-(4-methylphenyl)sulfinylicosa-11,14-dienoic acid
CID 67916864
(1R,2S)-1-(4-methylphenyl)nonane-1,2-diol
CID 15778520
1-(4-methylphenyl)octan-2-ol
CID 62607878
ethyl (7R)-7-hydroxy-8-[(R)-(4-methylphenyl)sulfinyl]nonanoate
CID 11302252
octane;octan-2-ol;bis(1,4-xylene)
CID 161441445
1-(4-hydroxyphenyl)octane-2,3-diol
CID 91510264
methyl (2S,3R,4R)-2-benzyl-4-[(R)-(4-methylphenyl)sulfinyl]-3-phenyl-5-trimethylsilylpentanoate
CID 10743760
(3S)-2-methyl-3-(4-methylphenyl)sulfinyl-5-trimethylsilylpentan-2-ol
CID 101019635
1,1-bis[(4-methylphenyl)sulfanyl]octan-2-ol
CID 13312351
(5R,6E,8E)-7-(4-methylphenyl)sulfinyldodeca-6,8-dien-5-ol
CID 102091567

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(R)-(4-methylphenyl)sulfinyl]-1-trimethylsilyloctan-3-ol?
The IUPAC name of (2R)-2-[(R)-(4-methylphenyl)sulfinyl]-1-trimethylsilyloctan-3-ol (CID 10569182) is (2R)-2-[(R)-(4-methylphenyl)sulfinyl]-1-trimethylsilyloctan-3-ol.
What is the SMILES notation for (2R)-2-[(R)-(4-methylphenyl)sulfinyl]-1-trimethylsilyloctan-3-ol?
The canonical SMILES for (2R)-2-[(R)-(4-methylphenyl)sulfinyl]-1-trimethylsilyloctan-3-ol is CCCCCC(O)[C@H](C[Si](C)(C)C)[S@@](=O)c1ccc(C)cc1.
What is the InChIKey of (2R)-2-[(R)-(4-methylphenyl)sulfinyl]-1-trimethylsilyloctan-3-ol?
The InChIKey is PGUIQSUKMNFCSQ-VLQCZPCNSA-N. The full InChI is InChI=1S/C18H32O2SSi/c1-6-7-8-9-17(19)18(14-22(3,4)5)21(20)16-12-10-15(2)11-13-16/h10-13,17-19H,6-9,14H2,1-5H3/t17?,18-,21-/m0/s1.
What are the key properties of (2R)-2-[(R)-(4-methylphenyl)sulfinyl]-1-trimethylsilyloctan-3-ol?
(2R)-2-[(R)-(4-methylphenyl)sulfinyl]-1-trimethylsilyloctan-3-ol has a molecular weight of 340.61 g/mol, XLogP of 4.75, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(R)-(4-methylphenyl)sulfinyl]-1-trimethylsilyloctan-3-ol is sourced from PubChem (CID 10569182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).