5-(1,6-dimethylcyclohexa-2,4-dien-1-yl)sulfonylsulfonylsulfonylsulfonyl-5,6-dimethylcyclohexa-1,3-diene

C16H22O8S4 — CID 141143563

IUPAC5-(1,6-dimethylcyclohexa-2,4-dien-1-yl)sulfonylsulfonylsulfonylsulfonyl-5,6-dimethylcyclohexa-1,3-diene
SMILESCC1C=CC=CC1(C)S(=O)(=O)S(=O)(=O)S(=O)(=O)S(=O)(=O)C1(C)C=CC=CC1C
InChIInChI=1S/C16H22O8S4/c1-13-9-5-7-11-15(13,3)25(17,18)27(21,22)28(23,24)26(19,20)16(4)12-8-6-10-14(16)2/h5-14H,1-4H3
InChIKeyIYZYPTIXGYHBGJ-UHFFFAOYSA-N
MW470.61 g/mol
LogP1.43
Rot. Bonds5

About 5-(1,6-dimethylcyclohexa-2,4-dien-1-yl)sulfonylsulfonylsulfonylsulfonyl-5,6-dimethylcyclohexa-1,3-diene

5-(1,6-dimethylcyclohexa-2,4-dien-1-yl)sulfonylsulfonylsulfonylsulfonyl-5,6-dimethylcyclohexa-1,3-diene (PubChem CID 141143563) has the molecular formula C16H22O8S4 and a molecular weight of 470.61 g/mol. Its IUPAC name is 5-(1,6-dimethylcyclohexa-2,4-dien-1-yl)sulfonylsulfonylsulfonylsulfonyl-5,6-dimethylcyclohexa-1,3-diene.

Molecular Properties

Compound Name5-(1,6-dimethylcyclohexa-2,4-dien-1-yl)sulfonylsulfonylsulfonylsulfonyl-5,6-dimethylcyclohexa-1,3-diene
PubChem CID141143563
Molecular FormulaC16H22O8S4
Molecular Weight470.61 g/mol
Exact Mass470.02
IUPAC Name5-(1,6-dimethylcyclohexa-2,4-dien-1-yl)sulfonylsulfonylsulfonylsulfonyl-5,6-dimethylcyclohexa-1,3-diene
SMILESCC1C=CC=CC1(C)S(=O)(=O)S(=O)(=O)S(=O)(=O)S(=O)(=O)C1(C)C=CC=CC1C
InChIInChI=1S/C16H22O8S4/c1-13-9-5-7-11-15(13,3)25(17,18)27(21,22)28(23,24)26(19,20)16(4)12-8-6-10-14(16)2/h5-14H,1-4H3
InChIKeyIYZYPTIXGYHBGJ-UHFFFAOYSA-N
XLogP1.43
TPSA136.56 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.61
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

(1R,6S)-1,6-dimethylcyclohexa-2,4-diene-1-sulfonic acid
CID 124527543
calcium;bis(1,6-dimethylcyclohexa-2,4-diene-1-sulfonate);hydrate
CID 140991949
1,6-dimethylcyclohexa-2,4-diene-1-sulfonate;tetramethylazanium
CID 155713195
5,6-dimethyl-5-propylsulfonylcyclohexa-1,3-diene
CID 141073371
2-[2-(2-hydroxyethoxy)ethoxy]ethyl 1,6-dimethylcyclohexa-2,4-diene-1-sulfonate
CID 140969540
(3-hydroxy-2-methyl-2-nitropropyl) 1,6-dimethylcyclohexa-2,4-diene-1-sulfonate
CID 141183010
1,6-dimethylcyclohexa-2,4-dien-1-ol;hydrate
CID 172555879
2-(1,6-dimethylcyclohexa-2,4-dien-1-yl)guanidine
CID 140979928
5-(chloromethyl)-5,6-dimethylcyclohexa-1,3-diene
CID 141115127
(1,6-dimethylcyclohexa-2,4-dien-1-yl)methanol
CID 66826478
(1,6-dimethylcyclohexa-2,4-dien-1-yl)-oxidoazanium
CID 140980510
1-chloro-6-methylcyclohexa-2,4-dien-1-ol
CID 150816987

Frequently Asked Questions

What is the IUPAC name of 5-(1,6-dimethylcyclohexa-2,4-dien-1-yl)sulfonylsulfonylsulfonylsulfonyl-5,6-dimethylcyclohexa-1,3-diene?
The IUPAC name of 5-(1,6-dimethylcyclohexa-2,4-dien-1-yl)sulfonylsulfonylsulfonylsulfonyl-5,6-dimethylcyclohexa-1,3-diene (CID 141143563) is 5-(1,6-dimethylcyclohexa-2,4-dien-1-yl)sulfonylsulfonylsulfonylsulfonyl-5,6-dimethylcyclohexa-1,3-diene.
What is the SMILES notation for 5-(1,6-dimethylcyclohexa-2,4-dien-1-yl)sulfonylsulfonylsulfonylsulfonyl-5,6-dimethylcyclohexa-1,3-diene?
The canonical SMILES for 5-(1,6-dimethylcyclohexa-2,4-dien-1-yl)sulfonylsulfonylsulfonylsulfonyl-5,6-dimethylcyclohexa-1,3-diene is CC1C=CC=CC1(C)S(=O)(=O)S(=O)(=O)S(=O)(=O)S(=O)(=O)C1(C)C=CC=CC1C.
What is the InChIKey of 5-(1,6-dimethylcyclohexa-2,4-dien-1-yl)sulfonylsulfonylsulfonylsulfonyl-5,6-dimethylcyclohexa-1,3-diene?
The InChIKey is IYZYPTIXGYHBGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O8S4/c1-13-9-5-7-11-15(13,3)25(17,18)27(21,22)28(23,24)26(19,20)16(4)12-8-6-10-14(16)2/h5-14H,1-4H3.
What are the key properties of 5-(1,6-dimethylcyclohexa-2,4-dien-1-yl)sulfonylsulfonylsulfonylsulfonyl-5,6-dimethylcyclohexa-1,3-diene?
5-(1,6-dimethylcyclohexa-2,4-dien-1-yl)sulfonylsulfonylsulfonylsulfonyl-5,6-dimethylcyclohexa-1,3-diene has a molecular weight of 470.61 g/mol, XLogP of 1.43, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,6-dimethylcyclohexa-2,4-dien-1-yl)sulfonylsulfonylsulfonylsulfonyl-5,6-dimethylcyclohexa-1,3-diene is sourced from PubChem (CID 141143563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).