5-cyclohexa-2,4-dien-1-ylsulfonyl-2-propan-2-ylcyclohexa-1,3-diene

C15H20O2S — CID 121327125

IUPAC5-cyclohexa-2,4-dien-1-ylsulfonyl-2-propan-2-ylcyclohexa-1,3-diene
SMILESCC(C)C1=CCC(S(=O)(=O)C2C=CC=CC2)C=C1
InChIInChI=1S/C15H20O2S/c1-12(2)13-8-10-15(11-9-13)18(16,17)14-6-4-3-5-7-14/h3-6,8-10,12,14-15H,7,11H2,1-2H3
InChIKeyLMQJGZUZYOPRCH-UHFFFAOYSA-N
MW264.39 g/mol
LogP3.20
Rot. Bonds3

About 5-cyclohexa-2,4-dien-1-ylsulfonyl-2-propan-2-ylcyclohexa-1,3-diene

5-cyclohexa-2,4-dien-1-ylsulfonyl-2-propan-2-ylcyclohexa-1,3-diene (PubChem CID 121327125) has the molecular formula C15H20O2S and a molecular weight of 264.39 g/mol. Its IUPAC name is 5-cyclohexa-2,4-dien-1-ylsulfonyl-2-propan-2-ylcyclohexa-1,3-diene.

Molecular Properties

Compound Name5-cyclohexa-2,4-dien-1-ylsulfonyl-2-propan-2-ylcyclohexa-1,3-diene
PubChem CID121327125
Molecular FormulaC15H20O2S
Molecular Weight264.39 g/mol
Exact Mass264.12
IUPAC Name5-cyclohexa-2,4-dien-1-ylsulfonyl-2-propan-2-ylcyclohexa-1,3-diene
SMILESCC(C)C1=CCC(S(=O)(=O)C2C=CC=CC2)C=C1
InChIInChI=1S/C15H20O2S/c1-12(2)13-8-10-15(11-9-13)18(16,17)14-6-4-3-5-7-14/h3-6,8-10,12,14-15H,7,11H2,1-2H3
InChIKeyLMQJGZUZYOPRCH-UHFFFAOYSA-N
XLogP3.20
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-cyclohexa-2,4-dien-1-ylsulfonyl-2-propan-2-ylcyclohexa-1,3-diene?
The IUPAC name of 5-cyclohexa-2,4-dien-1-ylsulfonyl-2-propan-2-ylcyclohexa-1,3-diene (CID 121327125) is 5-cyclohexa-2,4-dien-1-ylsulfonyl-2-propan-2-ylcyclohexa-1,3-diene.
What is the SMILES notation for 5-cyclohexa-2,4-dien-1-ylsulfonyl-2-propan-2-ylcyclohexa-1,3-diene?
The canonical SMILES for 5-cyclohexa-2,4-dien-1-ylsulfonyl-2-propan-2-ylcyclohexa-1,3-diene is CC(C)C1=CCC(S(=O)(=O)C2C=CC=CC2)C=C1.
What is the InChIKey of 5-cyclohexa-2,4-dien-1-ylsulfonyl-2-propan-2-ylcyclohexa-1,3-diene?
The InChIKey is LMQJGZUZYOPRCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2S/c1-12(2)13-8-10-15(11-9-13)18(16,17)14-6-4-3-5-7-14/h3-6,8-10,12,14-15H,7,11H2,1-2H3.
What are the key properties of 5-cyclohexa-2,4-dien-1-ylsulfonyl-2-propan-2-ylcyclohexa-1,3-diene?
5-cyclohexa-2,4-dien-1-ylsulfonyl-2-propan-2-ylcyclohexa-1,3-diene has a molecular weight of 264.39 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexa-2,4-dien-1-ylsulfonyl-2-propan-2-ylcyclohexa-1,3-diene is sourced from PubChem (CID 121327125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).