[6-[dimethyl(phenyl)silyl]-3,4-dimethyl-2,5-dihydrothiopyran-6-yl]-dimethyl-phenylsilane

C23H32SSi2 — CID 122369555

IUPAC[6-[dimethyl(phenyl)silyl]-3,4-dimethyl-2,5-dihydrothiopyran-6-yl]-dimethyl-phenylsilane
SMILESCC1=C(C)CC([Si](C)(C)c2ccccc2)([Si](C)(C)c2ccccc2)SC1
InChIInChI=1S/C23H32SSi2/c1-19-17-23(24-18-20(19)2,25(3,4)21-13-9-7-10-14-21)26(5,6)22-15-11-8-12-16-22/h7-16H,17-18H2,1-6H3
InChIKeyQXEPBNNVTYSERV-UHFFFAOYSA-N
MW396.75 g/mol
LogP5.51
Rot. Bonds4

About [6-[dimethyl(phenyl)silyl]-3,4-dimethyl-2,5-dihydrothiopyran-6-yl]-dimethyl-phenylsilane

[6-[dimethyl(phenyl)silyl]-3,4-dimethyl-2,5-dihydrothiopyran-6-yl]-dimethyl-phenylsilane (PubChem CID 122369555) has the molecular formula C23H32SSi2 and a molecular weight of 396.75 g/mol. Its IUPAC name is [6-[dimethyl(phenyl)silyl]-3,4-dimethyl-2,5-dihydrothiopyran-6-yl]-dimethyl-phenylsilane.

Molecular Properties

Compound Name[6-[dimethyl(phenyl)silyl]-3,4-dimethyl-2,5-dihydrothiopyran-6-yl]-dimethyl-phenylsilane
PubChem CID122369555
Molecular FormulaC23H32SSi2
Molecular Weight396.75 g/mol
Exact Mass396.18
IUPAC Name[6-[dimethyl(phenyl)silyl]-3,4-dimethyl-2,5-dihydrothiopyran-6-yl]-dimethyl-phenylsilane
SMILESCC1=C(C)CC([Si](C)(C)c2ccccc2)([Si](C)(C)c2ccccc2)SC1
InChIInChI=1S/C23H32SSi2/c1-19-17-23(24-18-20(19)2,25(3,4)21-13-9-7-10-14-21)26(5,6)22-15-11-8-12-16-22/h7-16H,17-18H2,1-6H3
InChIKeyQXEPBNNVTYSERV-UHFFFAOYSA-N
XLogP5.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.75
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

dimethyl-phenyl-(3-phenyl-1-bicyclo[1.1.1]pentanyl)silane
CID 154717529
3-[dimethyl(phenyl)silyl]bicyclo[1.1.1]pentan-1-ol
CID 154717335
5-methyl-3-(4-methylphenyl)-5-phenyl-4H-1,2-oxazole
CID 58473804
[2,2-bis[dimethyl(phenyl)silyl]-6-thia-1-phosphabicyclo[3.1.0]hexan-5-yl]-dimethyl-phenylsilane
CID 177466379
lithium methanidyl-dimethyl-phenylsilane
CID 12698040
diphenyl(trimethylsilyl)silanide
CID 71419356
tetramethylsilane;trimethyl(phenyl)silane
CID 161005748
fluoro-diphenyl-trimethylsilylsilane
CID 14645014
trimethyl-[1-(1-triphenylsilylcyclopropyl)cyclopropyl]silane
CID 11395834
[7-[dimethyl(phenyl)silyl]-1,7-disilabicyclo[5.5.0]dodecan-1-yl]-dimethyl-phenylsilane
CID 101074188
[(1R,6R)-1-tert-butyl-3,4-dimethyl-6-phenyl-1-trimethylsilyl-2,5-dihydrosilin-6-yl]oxy-trimethylsilane
CID 102048786
magnesium;trimethyl(phenyl)silane;dibromide
CID 175580992

Frequently Asked Questions

What is the IUPAC name of [6-[dimethyl(phenyl)silyl]-3,4-dimethyl-2,5-dihydrothiopyran-6-yl]-dimethyl-phenylsilane?
The IUPAC name of [6-[dimethyl(phenyl)silyl]-3,4-dimethyl-2,5-dihydrothiopyran-6-yl]-dimethyl-phenylsilane (CID 122369555) is [6-[dimethyl(phenyl)silyl]-3,4-dimethyl-2,5-dihydrothiopyran-6-yl]-dimethyl-phenylsilane.
What is the SMILES notation for [6-[dimethyl(phenyl)silyl]-3,4-dimethyl-2,5-dihydrothiopyran-6-yl]-dimethyl-phenylsilane?
The canonical SMILES for [6-[dimethyl(phenyl)silyl]-3,4-dimethyl-2,5-dihydrothiopyran-6-yl]-dimethyl-phenylsilane is CC1=C(C)CC([Si](C)(C)c2ccccc2)([Si](C)(C)c2ccccc2)SC1.
What is the InChIKey of [6-[dimethyl(phenyl)silyl]-3,4-dimethyl-2,5-dihydrothiopyran-6-yl]-dimethyl-phenylsilane?
The InChIKey is QXEPBNNVTYSERV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32SSi2/c1-19-17-23(24-18-20(19)2,25(3,4)21-13-9-7-10-14-21)26(5,6)22-15-11-8-12-16-22/h7-16H,17-18H2,1-6H3.
What are the key properties of [6-[dimethyl(phenyl)silyl]-3,4-dimethyl-2,5-dihydrothiopyran-6-yl]-dimethyl-phenylsilane?
[6-[dimethyl(phenyl)silyl]-3,4-dimethyl-2,5-dihydrothiopyran-6-yl]-dimethyl-phenylsilane has a molecular weight of 396.75 g/mol, XLogP of 5.51, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[dimethyl(phenyl)silyl]-3,4-dimethyl-2,5-dihydrothiopyran-6-yl]-dimethyl-phenylsilane is sourced from PubChem (CID 122369555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).