tert-butyl-[(1R)-2-(1,3-dithian-2-yl)-1-phenylethoxy]-dimethylsilane

C18H30OS2Si — CID 135019439

IUPACtert-butyl-[(1R)-2-(1,3-dithian-2-yl)-1-phenylethoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)O[C@H](CC1SCCCS1)c1ccccc1
InChIInChI=1S/C18H30OS2Si/c1-18(2,3)22(4,5)19-16(15-10-7-6-8-11-15)14-17-20-12-9-13-21-17/h6-8,10-11,16-17H,9,12-14H2,1-5H3/t16-/m1/s1
InChIKeyWEHQYHPOSJUERZ-MRXNPFEDSA-N
MW354.66 g/mol
LogP6.34
Rot. Bonds5

About tert-butyl-[(1R)-2-(1,3-dithian-2-yl)-1-phenylethoxy]-dimethylsilane

tert-butyl-[(1R)-2-(1,3-dithian-2-yl)-1-phenylethoxy]-dimethylsilane (PubChem CID 135019439) has the molecular formula C18H30OS2Si and a molecular weight of 354.66 g/mol. Its IUPAC name is tert-butyl-[(1R)-2-(1,3-dithian-2-yl)-1-phenylethoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(1R)-2-(1,3-dithian-2-yl)-1-phenylethoxy]-dimethylsilane
PubChem CID135019439
Molecular FormulaC18H30OS2Si
Molecular Weight354.66 g/mol
Exact Mass354.15
IUPAC Nametert-butyl-[(1R)-2-(1,3-dithian-2-yl)-1-phenylethoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)O[C@H](CC1SCCCS1)c1ccccc1
InChIInChI=1S/C18H30OS2Si/c1-18(2,3)22(4,5)19-16(15-10-7-6-8-11-15)14-17-20-12-9-13-21-17/h6-8,10-11,16-17H,9,12-14H2,1-5H3/t16-/m1/s1
InChIKeyWEHQYHPOSJUERZ-MRXNPFEDSA-N
XLogP6.34
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.66
LogP ≤ 56.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(1,3-Dithian-2-yl)-1-phenylethanol
CID 358342
(R)-2-((2-((Tert-butyldimethylsilyl)oxy)-2-(4-fluorophenyl)ethyl)thio)acetic acid
CID 59326673
Silane, dimethylphenyl(1-phenylethoxy)-
CID 11054287
Silane, (1,1-dimethylethyl)dimethyl[(1-phenyl-3-butenyl)oxy]-
CID 11230810
3-Hexyl-2,2-dimethyl-6-phenyl-5,6-dihydrooxasiline
CID 11266223
Tert-butyl-[4-(1,3-dithian-2-yl)phenoxy]-dimethylsilane
CID 11347975
(2-Methyl-[1,3]dithian-2-yl)phenylmethanol
CID 583621
Tert-butyl-dimethyl-(2-methylidene-1-phenylbut-3-enoxy)silane
CID 11747769
[2-(1,3-Dithian-2-ylidenemethyl)-1,3-dithian-2-yl]-phenylmethanol
CID 14508421
1,3-Dithian-2-yl(phenyl)methanol
CID 11031572
1-Oxa-2-silacyclohex-3-ene, 2,2-dimethyl-6-phenyl-
CID 11401459
triethyl-[(E)-2-methyl-1,3-diphenylprop-2-enoxy]silane
CID 12130401

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(1R)-2-(1,3-dithian-2-yl)-1-phenylethoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(1R)-2-(1,3-dithian-2-yl)-1-phenylethoxy]-dimethylsilane (CID 135019439) is tert-butyl-[(1R)-2-(1,3-dithian-2-yl)-1-phenylethoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(1R)-2-(1,3-dithian-2-yl)-1-phenylethoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(1R)-2-(1,3-dithian-2-yl)-1-phenylethoxy]-dimethylsilane is CC(C)(C)[Si](C)(C)O[C@H](CC1SCCCS1)c1ccccc1.
What is the InChIKey of tert-butyl-[(1R)-2-(1,3-dithian-2-yl)-1-phenylethoxy]-dimethylsilane?
The InChIKey is WEHQYHPOSJUERZ-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H30OS2Si/c1-18(2,3)22(4,5)19-16(15-10-7-6-8-11-15)14-17-20-12-9-13-21-17/h6-8,10-11,16-17H,9,12-14H2,1-5H3/t16-/m1/s1.
What are the key properties of tert-butyl-[(1R)-2-(1,3-dithian-2-yl)-1-phenylethoxy]-dimethylsilane?
tert-butyl-[(1R)-2-(1,3-dithian-2-yl)-1-phenylethoxy]-dimethylsilane has a molecular weight of 354.66 g/mol, XLogP of 6.34, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(1R)-2-(1,3-dithian-2-yl)-1-phenylethoxy]-dimethylsilane is sourced from PubChem (CID 135019439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).