5,6-dimethyl-5-propylsulfonylcyclohexa-1,3-diene

C11H18O2S — CID 141073371

IUPAC5,6-dimethyl-5-propylsulfonylcyclohexa-1,3-diene
SMILESCCCS(=O)(=O)C1(C)C=CC=CC1C
InChIInChI=1S/C11H18O2S/c1-4-9-14(12,13)11(3)8-6-5-7-10(11)2/h5-8,10H,4,9H2,1-3H3
InChIKeyCHAHCNWVRZIOOG-UHFFFAOYSA-N
MW214.33 g/mol
LogP2.33
Rot. Bonds3

About 5,6-dimethyl-5-propylsulfonylcyclohexa-1,3-diene

5,6-dimethyl-5-propylsulfonylcyclohexa-1,3-diene (PubChem CID 141073371) has the molecular formula C11H18O2S and a molecular weight of 214.33 g/mol. Its IUPAC name is 5,6-dimethyl-5-propylsulfonylcyclohexa-1,3-diene.

Molecular Properties

Compound Name5,6-dimethyl-5-propylsulfonylcyclohexa-1,3-diene
PubChem CID141073371
Molecular FormulaC11H18O2S
Molecular Weight214.33 g/mol
Exact Mass214.10
IUPAC Name5,6-dimethyl-5-propylsulfonylcyclohexa-1,3-diene
SMILESCCCS(=O)(=O)C1(C)C=CC=CC1C
InChIInChI=1S/C11H18O2S/c1-4-9-14(12,13)11(3)8-6-5-7-10(11)2/h5-8,10H,4,9H2,1-3H3
InChIKeyCHAHCNWVRZIOOG-UHFFFAOYSA-N
XLogP2.33
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,6S)-1,6-dimethylcyclohexa-2,4-diene-1-sulfonic acid
CID 124527543
5-(1,6-dimethylcyclohexa-2,4-dien-1-yl)sulfonylsulfonylsulfonylsulfonyl-5,6-dimethylcyclohexa-1,3-diene
CID 141143563
calcium;bis(1,6-dimethylcyclohexa-2,4-diene-1-sulfonate);hydrate
CID 140991949
1,6-dimethylcyclohexa-2,4-diene-1-sulfonate;tetramethylazanium
CID 155713195
azane;ethanol;pentadecyl 1,6-dimethylcyclohexa-2,4-diene-1-sulfonate
CID 172688137
2-[2-(2-hydroxyethoxy)ethoxy]ethyl 1,6-dimethylcyclohexa-2,4-diene-1-sulfonate
CID 140969540
(1,6-dimethylcyclohexa-2,4-dien-1-yl)-dipropylphosphane
CID 141415091
(1,6-dimethylcyclohexa-2,4-dien-1-yl)methanol
CID 66826478
1,5-dimethyl-5-propylsulfonylcyclohexa-1,3-diene
CID 141111957
(1,6-dimethylcyclohexa-2,4-dien-1-yl) decanoate
CID 141493898
2-[(1S,6S)-1,6-dimethylcyclohexa-2,4-dien-1-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 97049712
1-(hydroxymethyl)-6-methylcyclohexa-2,4-diene-1-carbaldehyde
CID 123247195

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-5-propylsulfonylcyclohexa-1,3-diene?
The IUPAC name of 5,6-dimethyl-5-propylsulfonylcyclohexa-1,3-diene (CID 141073371) is 5,6-dimethyl-5-propylsulfonylcyclohexa-1,3-diene.
What is the SMILES notation for 5,6-dimethyl-5-propylsulfonylcyclohexa-1,3-diene?
The canonical SMILES for 5,6-dimethyl-5-propylsulfonylcyclohexa-1,3-diene is CCCS(=O)(=O)C1(C)C=CC=CC1C.
What is the InChIKey of 5,6-dimethyl-5-propylsulfonylcyclohexa-1,3-diene?
The InChIKey is CHAHCNWVRZIOOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2S/c1-4-9-14(12,13)11(3)8-6-5-7-10(11)2/h5-8,10H,4,9H2,1-3H3.
What are the key properties of 5,6-dimethyl-5-propylsulfonylcyclohexa-1,3-diene?
5,6-dimethyl-5-propylsulfonylcyclohexa-1,3-diene has a molecular weight of 214.33 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-5-propylsulfonylcyclohexa-1,3-diene is sourced from PubChem (CID 141073371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).