tert-butyl-diphenyl-(4-phenylcyclohexyl)oxy-λ4-sulfane

C28H34OS — CID 156649452

IUPACtert-butyl-diphenyl-(4-phenylcyclohexyl)oxy-λ4-sulfane
SMILESCC(C)(C)S(OC1CCC(c2ccccc2)CC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H34OS/c1-28(2,3)30(26-15-9-5-10-16-26,27-17-11-6-12-18-27)29-25-21-19-24(20-22-25)23-13-7-4-8-14-23/h4-18,24-25H,19-22H2,1-3H3
InChIKeyHVAFDLUQPAELTR-UHFFFAOYSA-N
MW418.65 g/mol
LogP8.37
Rot. Bonds5

About tert-butyl-diphenyl-(4-phenylcyclohexyl)oxy-λ4-sulfane

tert-butyl-diphenyl-(4-phenylcyclohexyl)oxy-λ4-sulfane (PubChem CID 156649452) has the molecular formula C28H34OS and a molecular weight of 418.65 g/mol. Its IUPAC name is tert-butyl-diphenyl-(4-phenylcyclohexyl)oxy-λ4-sulfane.

Molecular Properties

Compound Nametert-butyl-diphenyl-(4-phenylcyclohexyl)oxy-λ4-sulfane
PubChem CID156649452
Molecular FormulaC28H34OS
Molecular Weight418.65 g/mol
Exact Mass418.23
IUPAC Nametert-butyl-diphenyl-(4-phenylcyclohexyl)oxy-λ4-sulfane
SMILESCC(C)(C)S(OC1CCC(c2ccccc2)CC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H34OS/c1-28(2,3)30(26-15-9-5-10-16-26,27-17-11-6-12-18-27)29-25-21-19-24(20-22-25)23-13-7-4-8-14-23/h4-18,24-25H,19-22H2,1-3H3
InChIKeyHVAFDLUQPAELTR-UHFFFAOYSA-N
XLogP8.37
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.65
LogP ≤ 58.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2-Benzyl-4-methoxy-1-phenylsulfanylbutyl)sulfanylbenzene
CID 86034056
4,4'-Ditosyloxy-1,1'-bicyclohexane
CID 129821383
CID 20587116
CID 20587116
4,4,4-Triphenylbutoxy-(triphenyl-lambda4-sulfanyl)oxyborinic acid
CID 69541446
Tert-butyl-[4,4-di(propan-2-yl)cyclohexyl]oxy-diphenyl-lambda4-sulfane
CID 140632986
1,1'-Biphenyl;1-tert-butylsulfanyloxy-3-prop-2-enylcyclohexane
CID 142936187
1-Methyl-2-[2-methyl-5-(4-methylcyclohexyl)oxycyclohexyl]-4-(4-methylphenyl)sulfanylbenzene
CID 146342610
Tert-butyl-diphenyl-(4-phenylcyclohex-3-en-1-yl)oxy-lambda4-sulfane
CID 156649368
(5-Methyl-2-propan-2-ylcyclohexyl) sulfate;triphenylsulfanium
CID 157196374
1-Cyclohexylethoxy(diphenyl)sulfanium
CID 163485741
2,6-Ditert-butyl-4-[4-[4-(3,5-ditert-butyl-4-hydroxycyclohexyl)phenyl]sulfanylphenyl]cyclohexan-1-ol
CID 174751808
(2R,3S,4S)-4-methyl-7-phenyl-3,5,5-tris(phenylsulfanyl)heptan-2-ol
CID 10029957

Frequently Asked Questions

What is the IUPAC name of tert-butyl-diphenyl-(4-phenylcyclohexyl)oxy-λ4-sulfane?
The IUPAC name of tert-butyl-diphenyl-(4-phenylcyclohexyl)oxy-λ4-sulfane (CID 156649452) is tert-butyl-diphenyl-(4-phenylcyclohexyl)oxy-λ4-sulfane.
What is the SMILES notation for tert-butyl-diphenyl-(4-phenylcyclohexyl)oxy-λ4-sulfane?
The canonical SMILES for tert-butyl-diphenyl-(4-phenylcyclohexyl)oxy-λ4-sulfane is CC(C)(C)S(OC1CCC(c2ccccc2)CC1)(c1ccccc1)c1ccccc1.
What is the InChIKey of tert-butyl-diphenyl-(4-phenylcyclohexyl)oxy-λ4-sulfane?
The InChIKey is HVAFDLUQPAELTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34OS/c1-28(2,3)30(26-15-9-5-10-16-26,27-17-11-6-12-18-27)29-25-21-19-24(20-22-25)23-13-7-4-8-14-23/h4-18,24-25H,19-22H2,1-3H3.
What are the key properties of tert-butyl-diphenyl-(4-phenylcyclohexyl)oxy-λ4-sulfane?
tert-butyl-diphenyl-(4-phenylcyclohexyl)oxy-λ4-sulfane has a molecular weight of 418.65 g/mol, XLogP of 8.37, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-diphenyl-(4-phenylcyclohexyl)oxy-λ4-sulfane is sourced from PubChem (CID 156649452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).