(3S)-2-methyl-3-(4-methylphenyl)sulfinyl-5-trimethylsilylpentan-2-ol

C16H28O2SSi — CID 101019635

IUPAC(3S)-2-methyl-3-(4-methylphenyl)sulfinyl-5-trimethylsilylpentan-2-ol
SMILESCc1ccc(S(=O)[C@@H](CC[Si](C)(C)C)C(C)(C)O)cc1
InChIInChI=1S/C16H28O2SSi/c1-13-7-9-14(10-8-13)19(18)15(16(2,3)17)11-12-20(4,5)6/h7-10,15,17H,11-12H2,1-6H3/t15-,19?/m0/s1
InChIKeyRYXGIWWILFUWAW-FUKCDUGKSA-N
MW312.55 g/mol
LogP3.97
Rot. Bonds6

About (3S)-2-methyl-3-(4-methylphenyl)sulfinyl-5-trimethylsilylpentan-2-ol

(3S)-2-methyl-3-(4-methylphenyl)sulfinyl-5-trimethylsilylpentan-2-ol (PubChem CID 101019635) has the molecular formula C16H28O2SSi and a molecular weight of 312.55 g/mol. Its IUPAC name is (3S)-2-methyl-3-(4-methylphenyl)sulfinyl-5-trimethylsilylpentan-2-ol.

Molecular Properties

Compound Name(3S)-2-methyl-3-(4-methylphenyl)sulfinyl-5-trimethylsilylpentan-2-ol
PubChem CID101019635
Molecular FormulaC16H28O2SSi
Molecular Weight312.55 g/mol
Exact Mass312.16
IUPAC Name(3S)-2-methyl-3-(4-methylphenyl)sulfinyl-5-trimethylsilylpentan-2-ol
SMILESCc1ccc(S(=O)[C@@H](CC[Si](C)(C)C)C(C)(C)O)cc1
InChIInChI=1S/C16H28O2SSi/c1-13-7-9-14(10-8-13)19(18)15(16(2,3)17)11-12-20(4,5)6/h7-10,15,17H,11-12H2,1-6H3/t15-,19?/m0/s1
InChIKeyRYXGIWWILFUWAW-FUKCDUGKSA-N
XLogP3.97
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.55
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3S)-2-methyl-3-(4-methylphenyl)sulfinyl-5-trimethylsilylpentan-2-ol with MolForge

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Related Compounds

(3R)-2-methyl-4-[methyl(diphenyl)silyl]-3-[(R)-(4-methylphenyl)sulfinyl]butan-2-ol
CID 10502363
trimethyl-[2-(4-methylphenyl)sulfinylethyl]silane
CID 23729825
(2S,3S)-2-hydroxy-2-methyl-3-[(R)-(4-methylphenyl)sulfinyl]butanenitrile
CID 10037170
(2R)-2-[(R)-(4-methylphenyl)sulfinyl]-1-trimethylsilyloctan-3-ol
CID 10569182
(2R,3S)-3-[(R)-(4-methylphenyl)sulfinyl]-2-phenylbutan-2-ol
CID 11380685
1-(difluoromethylsulfinyl)-4-methylbenzene
CID 586872
(2R)-2-hydroxy-3,3-dimethyl-2-[(1R)-1-[(R)-(4-methylphenyl)sulfinyl]ethyl]butanenitrile
CID 10265631
trimethyl-[2-[(4-methylphenyl)sulfinylmethoxy]ethyl]silane
CID 102085518
1-[(1S)-1-chloroethyl]sulfinyl-4-methylbenzene
CID 102275551
(4R)-2-methyl-4-[(R)-(4-methylphenyl)sulfinyl]pentan-3-one
CID 10060133
methyl (2S,4R)-2-methyl-4-[(R)-(4-methylphenyl)sulfinyl]-5-trimethylsilylpentanoate
CID 10545140
1-(2,2-dimethylpropylsulfinyl)-4-methylbenzene
CID 86203544

Frequently Asked Questions

What is the IUPAC name of (3S)-2-methyl-3-(4-methylphenyl)sulfinyl-5-trimethylsilylpentan-2-ol?
The IUPAC name of (3S)-2-methyl-3-(4-methylphenyl)sulfinyl-5-trimethylsilylpentan-2-ol (CID 101019635) is (3S)-2-methyl-3-(4-methylphenyl)sulfinyl-5-trimethylsilylpentan-2-ol.
What is the SMILES notation for (3S)-2-methyl-3-(4-methylphenyl)sulfinyl-5-trimethylsilylpentan-2-ol?
The canonical SMILES for (3S)-2-methyl-3-(4-methylphenyl)sulfinyl-5-trimethylsilylpentan-2-ol is Cc1ccc(S(=O)[C@@H](CC[Si](C)(C)C)C(C)(C)O)cc1.
What is the InChIKey of (3S)-2-methyl-3-(4-methylphenyl)sulfinyl-5-trimethylsilylpentan-2-ol?
The InChIKey is RYXGIWWILFUWAW-FUKCDUGKSA-N. The full InChI is InChI=1S/C16H28O2SSi/c1-13-7-9-14(10-8-13)19(18)15(16(2,3)17)11-12-20(4,5)6/h7-10,15,17H,11-12H2,1-6H3/t15-,19?/m0/s1.
What are the key properties of (3S)-2-methyl-3-(4-methylphenyl)sulfinyl-5-trimethylsilylpentan-2-ol?
(3S)-2-methyl-3-(4-methylphenyl)sulfinyl-5-trimethylsilylpentan-2-ol has a molecular weight of 312.55 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-2-methyl-3-(4-methylphenyl)sulfinyl-5-trimethylsilylpentan-2-ol is sourced from PubChem (CID 101019635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).