trimethyl-[[(2S,4S)-4-phenyl-3,4-dihydro-2H-thiopyran-2-yl]methyl]silane

C15H22SSi — CID 101346356

IUPACtrimethyl-[[(2S,4S)-4-phenyl-3,4-dihydro-2H-thiopyran-2-yl]methyl]silane
SMILESC[Si](C)(C)C[C@@H]1C[C@H](c2ccccc2)C=CS1
InChIInChI=1S/C15H22SSi/c1-17(2,3)12-15-11-14(9-10-16-15)13-7-5-4-6-8-13/h4-10,14-15H,11-12H2,1-3H3/t14-,15+/m1/s1
InChIKeyFCFSTUUHEUERMT-CABCVRRESA-N
MW262.49 g/mol
LogP5.13
Rot. Bonds3

About trimethyl-[[(2S,4S)-4-phenyl-3,4-dihydro-2H-thiopyran-2-yl]methyl]silane

trimethyl-[[(2S,4S)-4-phenyl-3,4-dihydro-2H-thiopyran-2-yl]methyl]silane (PubChem CID 101346356) has the molecular formula C15H22SSi and a molecular weight of 262.49 g/mol. Its IUPAC name is trimethyl-[[(2S,4S)-4-phenyl-3,4-dihydro-2H-thiopyran-2-yl]methyl]silane.

Molecular Properties

Compound Nametrimethyl-[[(2S,4S)-4-phenyl-3,4-dihydro-2H-thiopyran-2-yl]methyl]silane
PubChem CID101346356
Molecular FormulaC15H22SSi
Molecular Weight262.49 g/mol
Exact Mass262.12
IUPAC Nametrimethyl-[[(2S,4S)-4-phenyl-3,4-dihydro-2H-thiopyran-2-yl]methyl]silane
SMILESC[Si](C)(C)C[C@@H]1C[C@H](c2ccccc2)C=CS1
InChIInChI=1S/C15H22SSi/c1-17(2,3)12-15-11-14(9-10-16-15)13-7-5-4-6-8-13/h4-10,14-15H,11-12H2,1-3H3/t14-,15+/m1/s1
InChIKeyFCFSTUUHEUERMT-CABCVRRESA-N
XLogP5.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.49
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2R,4R)-2,4-diphenyl-3,4-dihydro-2H-thiopyran
CID 101401487
(3aR,5R)-5-phenyl-3,3a,4,5-tetrahydro-2H-cyclopenta[b]furan
CID 15871516
2,6-dimethyl-4-phenyl-3,4-dihydropyridine
CID 57025415
(2S,5S)-2-(2-hydroxyethyl)-5-phenylcyclohex-3-en-1-ol
CID 134980819
(3S,4S)-3,4-diphenyldioxetane
CID 71394517
(4R)-4-phenyl-4,5-dihydro-1,2-oxazole
CID 140967269
2,4-diphenyl-3,4-dihydro-2H-pyrrole
CID 144943042
(2S,4S)-2-(4-bromophenyl)-2-methyl-4-phenyl-3,4-dihydrothiopyran
CID 11067940
[(2S,3R)-2,3-diphenylphosphiran-1-yl]-trimethylsilane
CID 101109188
2,2-diethyl-5-phenyl-5,6-dihydro-1H-pyrimidine
CID 57172412
(4S,6S,8S,8aS)-4-phenyl-6-propan-2-yl-8-(trimethylsilylmethyl)-3,4,6,7,8,8a-hexahydropyrrolo[2,1-c][1,4]oxazin-1-one
CID 11772351
[(1R,3S)-2,3-dimethylcyclobutyl]benzene
CID 142373098

Frequently Asked Questions

What is the IUPAC name of trimethyl-[[(2S,4S)-4-phenyl-3,4-dihydro-2H-thiopyran-2-yl]methyl]silane?
The IUPAC name of trimethyl-[[(2S,4S)-4-phenyl-3,4-dihydro-2H-thiopyran-2-yl]methyl]silane (CID 101346356) is trimethyl-[[(2S,4S)-4-phenyl-3,4-dihydro-2H-thiopyran-2-yl]methyl]silane.
What is the SMILES notation for trimethyl-[[(2S,4S)-4-phenyl-3,4-dihydro-2H-thiopyran-2-yl]methyl]silane?
The canonical SMILES for trimethyl-[[(2S,4S)-4-phenyl-3,4-dihydro-2H-thiopyran-2-yl]methyl]silane is C[Si](C)(C)C[C@@H]1C[C@H](c2ccccc2)C=CS1.
What is the InChIKey of trimethyl-[[(2S,4S)-4-phenyl-3,4-dihydro-2H-thiopyran-2-yl]methyl]silane?
The InChIKey is FCFSTUUHEUERMT-CABCVRRESA-N. The full InChI is InChI=1S/C15H22SSi/c1-17(2,3)12-15-11-14(9-10-16-15)13-7-5-4-6-8-13/h4-10,14-15H,11-12H2,1-3H3/t14-,15+/m1/s1.
What are the key properties of trimethyl-[[(2S,4S)-4-phenyl-3,4-dihydro-2H-thiopyran-2-yl]methyl]silane?
trimethyl-[[(2S,4S)-4-phenyl-3,4-dihydro-2H-thiopyran-2-yl]methyl]silane has a molecular weight of 262.49 g/mol, XLogP of 5.13, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[[(2S,4S)-4-phenyl-3,4-dihydro-2H-thiopyran-2-yl]methyl]silane is sourced from PubChem (CID 101346356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).