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

C16H22O2S — CID 163831893

IUPAC5-(1,5-dimethylcyclohexa-2,4-dien-1-yl)sulfonyl-1,5-dimethylcyclohexa-1,3-diene
SMILESCC1=CC=CC(C)(S(=O)(=O)C2(C)C=CC=C(C)C2)C1
InChIInChI=1S/C16H22O2S/c1-13-7-5-9-15(3,11-13)19(17,18)16(4)10-6-8-14(2)12-16/h5-10H,11-12H2,1-4H3
InChIKeyOEHLHZWGAIKALG-UHFFFAOYSA-N
MW278.42 g/mol
LogP3.73
Rot. Bonds2

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

5-(1,5-dimethylcyclohexa-2,4-dien-1-yl)sulfonyl-1,5-dimethylcyclohexa-1,3-diene (PubChem CID 163831893) has the molecular formula C16H22O2S and a molecular weight of 278.42 g/mol. Its IUPAC name is 5-(1,5-dimethylcyclohexa-2,4-dien-1-yl)sulfonyl-1,5-dimethylcyclohexa-1,3-diene.

Molecular Properties

Compound Name5-(1,5-dimethylcyclohexa-2,4-dien-1-yl)sulfonyl-1,5-dimethylcyclohexa-1,3-diene
PubChem CID163831893
Molecular FormulaC16H22O2S
Molecular Weight278.42 g/mol
Exact Mass278.13
IUPAC Name5-(1,5-dimethylcyclohexa-2,4-dien-1-yl)sulfonyl-1,5-dimethylcyclohexa-1,3-diene
SMILESCC1=CC=CC(C)(S(=O)(=O)C2(C)C=CC=C(C)C2)C1
InChIInChI=1S/C16H22O2S/c1-13-7-5-9-15(3,11-13)19(17,18)16(4)10-6-8-14(2)12-16/h5-10H,11-12H2,1-4H3
InChIKeyOEHLHZWGAIKALG-UHFFFAOYSA-N
XLogP3.73
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-Fluoro-5-(1-fluoro-3,5-dimethylcyclohexa-2,4-dien-1-yl)sulfonyl-1,3-dimethylcyclohexa-1,3-diene
CID 139694267
5-[1,5-Bis(trifluoromethyl)cyclohexa-2,4-dien-1-yl]sulfonyl-1,5-bis(trifluoromethyl)cyclohexa-1,3-diene
CID 154375299
1-Propenyl-benzyl-sulfon
CID 129648462
1-Methyl 4-methylphenyl 3-(trimethylstannyl)propyl sulfone
CID 129767083
4-Methyl-2,4,6-trimethylphenylsulfone
CID 129856565
5-Butyl-6-(6-butyl-3,6-dimethylcyclohexa-2,4-dien-1-yl)sulfonyl-2,5-dimethylcyclohexa-1,3-diene
CID 20501207
3-(3,7-Dimethylocta-1,6-dien-3-ylsulfonyl)-3,7-dimethylocta-1,6-diene
CID 20529825
2,4,6-Trimethyl-1-methylsulfonylcyclohexa-1,3-diene
CID 21023525
2-Methyl-5-propylsulfonylcyclohexa-1,3-diene
CID 57674650
6-But-1-enyl-2-(3-but-1-enyl-2,3,4-trimethylcyclohexa-1,5-dien-1-yl)sulfonyl-1,5,6-trimethylcyclohexa-1,3-diene
CID 67104096
1-Prop-2-enyl-3-(5-prop-2-enylcyclohexa-1,5-dien-1-yl)sulfonylcyclohexa-1,3-diene
CID 69997801
5-Butyl-5-(1-butyl-5-methylcyclohexa-2,4-dien-1-yl)sulfonyl-1-methylcyclohexa-1,3-diene
CID 70483863

Frequently Asked Questions

What is the IUPAC name of 5-(1,5-dimethylcyclohexa-2,4-dien-1-yl)sulfonyl-1,5-dimethylcyclohexa-1,3-diene?
The IUPAC name of 5-(1,5-dimethylcyclohexa-2,4-dien-1-yl)sulfonyl-1,5-dimethylcyclohexa-1,3-diene (CID 163831893) is 5-(1,5-dimethylcyclohexa-2,4-dien-1-yl)sulfonyl-1,5-dimethylcyclohexa-1,3-diene.
What is the SMILES notation for 5-(1,5-dimethylcyclohexa-2,4-dien-1-yl)sulfonyl-1,5-dimethylcyclohexa-1,3-diene?
The canonical SMILES for 5-(1,5-dimethylcyclohexa-2,4-dien-1-yl)sulfonyl-1,5-dimethylcyclohexa-1,3-diene is CC1=CC=CC(C)(S(=O)(=O)C2(C)C=CC=C(C)C2)C1.
What is the InChIKey of 5-(1,5-dimethylcyclohexa-2,4-dien-1-yl)sulfonyl-1,5-dimethylcyclohexa-1,3-diene?
The InChIKey is OEHLHZWGAIKALG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O2S/c1-13-7-5-9-15(3,11-13)19(17,18)16(4)10-6-8-14(2)12-16/h5-10H,11-12H2,1-4H3.
What are the key properties of 5-(1,5-dimethylcyclohexa-2,4-dien-1-yl)sulfonyl-1,5-dimethylcyclohexa-1,3-diene?
5-(1,5-dimethylcyclohexa-2,4-dien-1-yl)sulfonyl-1,5-dimethylcyclohexa-1,3-diene has a molecular weight of 278.42 g/mol, XLogP of 3.73, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,5-dimethylcyclohexa-2,4-dien-1-yl)sulfonyl-1,5-dimethylcyclohexa-1,3-diene is sourced from PubChem (CID 163831893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).