cyclohexa-1,3-dien-1-yl-cyclohexa-1,5-dien-1-yl-methyl-phenyl-λ4-sulfane

C19H22S — CID 167148082

IUPACcyclohexa-1,3-dien-1-yl-cyclohexa-1,5-dien-1-yl-methyl-phenyl-λ4-sulfane
SMILESCS(C1=CCCC=C1)(C1=CC=CCC1)c1ccccc1
InChIInChI=1S/C19H22S/c1-20(17-11-5-2-6-12-17,18-13-7-3-8-14-18)19-15-9-4-10-16-19/h2-3,5-7,9,11-13,15-16H,4,8,10,14H2,1H3
InChIKeyOEYAXYRUCIWUOD-UHFFFAOYSA-N
MW282.45 g/mol
LogP5.95
Rot. Bonds3

About cyclohexa-1,3-dien-1-yl-cyclohexa-1,5-dien-1-yl-methyl-phenyl-λ4-sulfane

cyclohexa-1,3-dien-1-yl-cyclohexa-1,5-dien-1-yl-methyl-phenyl-λ4-sulfane (PubChem CID 167148082) has the molecular formula C19H22S and a molecular weight of 282.45 g/mol. Its IUPAC name is cyclohexa-1,3-dien-1-yl-cyclohexa-1,5-dien-1-yl-methyl-phenyl-λ4-sulfane.

Molecular Properties

Compound Namecyclohexa-1,3-dien-1-yl-cyclohexa-1,5-dien-1-yl-methyl-phenyl-λ4-sulfane
PubChem CID167148082
Molecular FormulaC19H22S
Molecular Weight282.45 g/mol
Exact Mass282.14
IUPAC Namecyclohexa-1,3-dien-1-yl-cyclohexa-1,5-dien-1-yl-methyl-phenyl-λ4-sulfane
SMILESCS(C1=CCCC=C1)(C1=CC=CCC1)c1ccccc1
InChIInChI=1S/C19H22S/c1-20(17-11-5-2-6-12-17,18-13-7-3-8-14-18)19-15-9-4-10-16-19/h2-3,5-7,9,11-13,15-16H,4,8,10,14H2,1H3
InChIKeyOEYAXYRUCIWUOD-UHFFFAOYSA-N
XLogP5.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.45
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of cyclohexa-1,3-dien-1-yl-cyclohexa-1,5-dien-1-yl-methyl-phenyl-λ4-sulfane?
The IUPAC name of cyclohexa-1,3-dien-1-yl-cyclohexa-1,5-dien-1-yl-methyl-phenyl-λ4-sulfane (CID 167148082) is cyclohexa-1,3-dien-1-yl-cyclohexa-1,5-dien-1-yl-methyl-phenyl-λ4-sulfane.
What is the SMILES notation for cyclohexa-1,3-dien-1-yl-cyclohexa-1,5-dien-1-yl-methyl-phenyl-λ4-sulfane?
The canonical SMILES for cyclohexa-1,3-dien-1-yl-cyclohexa-1,5-dien-1-yl-methyl-phenyl-λ4-sulfane is CS(C1=CCCC=C1)(C1=CC=CCC1)c1ccccc1.
What is the InChIKey of cyclohexa-1,3-dien-1-yl-cyclohexa-1,5-dien-1-yl-methyl-phenyl-λ4-sulfane?
The InChIKey is OEYAXYRUCIWUOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22S/c1-20(17-11-5-2-6-12-17,18-13-7-3-8-14-18)19-15-9-4-10-16-19/h2-3,5-7,9,11-13,15-16H,4,8,10,14H2,1H3.
What are the key properties of cyclohexa-1,3-dien-1-yl-cyclohexa-1,5-dien-1-yl-methyl-phenyl-λ4-sulfane?
cyclohexa-1,3-dien-1-yl-cyclohexa-1,5-dien-1-yl-methyl-phenyl-λ4-sulfane has a molecular weight of 282.45 g/mol, XLogP of 5.95, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexa-1,3-dien-1-yl-cyclohexa-1,5-dien-1-yl-methyl-phenyl-λ4-sulfane is sourced from PubChem (CID 167148082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).