2-methyl-6-[(2E)-5-methylhexa-2,4-dien-2-yl]sulfonylcyclohexa-1,3-diene

C14H20O2S — CID 89033395

IUPAC2-methyl-6-[(2E)-5-methylhexa-2,4-dien-2-yl]sulfonylcyclohexa-1,3-diene
SMILESCC(C)=C/C=C(\C)S(=O)(=O)C1C=C(C)C=CC1
InChIInChI=1S/C14H20O2S/c1-11(2)8-9-13(4)17(15,16)14-7-5-6-12(3)10-14/h5-6,8-10,14H,7H2,1-4H3/b13-9+
InChIKeySMXUQNSYPOOECA-UKTHLTGXSA-N
MW252.38 g/mol
LogP3.55
Rot. Bonds3

About 2-methyl-6-[(2E)-5-methylhexa-2,4-dien-2-yl]sulfonylcyclohexa-1,3-diene

2-methyl-6-[(2E)-5-methylhexa-2,4-dien-2-yl]sulfonylcyclohexa-1,3-diene (PubChem CID 89033395) has the molecular formula C14H20O2S and a molecular weight of 252.38 g/mol. Its IUPAC name is 2-methyl-6-[(2E)-5-methylhexa-2,4-dien-2-yl]sulfonylcyclohexa-1,3-diene.

Molecular Properties

Compound Name2-methyl-6-[(2E)-5-methylhexa-2,4-dien-2-yl]sulfonylcyclohexa-1,3-diene
PubChem CID89033395
Molecular FormulaC14H20O2S
Molecular Weight252.38 g/mol
Exact Mass252.12
IUPAC Name2-methyl-6-[(2E)-5-methylhexa-2,4-dien-2-yl]sulfonylcyclohexa-1,3-diene
SMILESCC(C)=C/C=C(\C)S(=O)(=O)C1C=C(C)C=CC1
InChIInChI=1S/C14H20O2S/c1-11(2)8-9-13(4)17(15,16)14-7-5-6-12(3)10-14/h5-6,8-10,14H,7H2,1-4H3/b13-9+
InChIKeySMXUQNSYPOOECA-UKTHLTGXSA-N
XLogP3.55
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-methyl-6-[(2E)-5-methylhexa-2,4-dien-2-yl]sulfonylcyclohexa-1,3-diene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[(2E)-5-methylhexa-2,4-dien-2-yl]sulfonylcyclohexa-1,3-diene?
The IUPAC name of 2-methyl-6-[(2E)-5-methylhexa-2,4-dien-2-yl]sulfonylcyclohexa-1,3-diene (CID 89033395) is 2-methyl-6-[(2E)-5-methylhexa-2,4-dien-2-yl]sulfonylcyclohexa-1,3-diene.
What is the SMILES notation for 2-methyl-6-[(2E)-5-methylhexa-2,4-dien-2-yl]sulfonylcyclohexa-1,3-diene?
The canonical SMILES for 2-methyl-6-[(2E)-5-methylhexa-2,4-dien-2-yl]sulfonylcyclohexa-1,3-diene is CC(C)=C/C=C(\C)S(=O)(=O)C1C=C(C)C=CC1.
What is the InChIKey of 2-methyl-6-[(2E)-5-methylhexa-2,4-dien-2-yl]sulfonylcyclohexa-1,3-diene?
The InChIKey is SMXUQNSYPOOECA-UKTHLTGXSA-N. The full InChI is InChI=1S/C14H20O2S/c1-11(2)8-9-13(4)17(15,16)14-7-5-6-12(3)10-14/h5-6,8-10,14H,7H2,1-4H3/b13-9+.
What are the key properties of 2-methyl-6-[(2E)-5-methylhexa-2,4-dien-2-yl]sulfonylcyclohexa-1,3-diene?
2-methyl-6-[(2E)-5-methylhexa-2,4-dien-2-yl]sulfonylcyclohexa-1,3-diene has a molecular weight of 252.38 g/mol, XLogP of 3.55, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[(2E)-5-methylhexa-2,4-dien-2-yl]sulfonylcyclohexa-1,3-diene is sourced from PubChem (CID 89033395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).