1-hexa-2,4-dienylsulfonylhexa-2,4-diene

C12H18O2S — CID 57050656

IUPAC1-hexa-2,4-dienylsulfonylhexa-2,4-diene
SMILESCC=CC=CCS(=O)(=O)CC=CC=CC
InChIInChI=1S/C12H18O2S/c1-3-5-7-9-11-15(13,14)12-10-8-6-4-2/h3-10H,11-12H2,1-2H3
InChIKeyARTLQCHVEJXHNQ-UHFFFAOYSA-N
MW226.34 g/mol
LogP2.67
Rot. Bonds6

About 1-hexa-2,4-dienylsulfonylhexa-2,4-diene

1-hexa-2,4-dienylsulfonylhexa-2,4-diene (PubChem CID 57050656) has the molecular formula C12H18O2S and a molecular weight of 226.34 g/mol. Its IUPAC name is 1-hexa-2,4-dienylsulfonylhexa-2,4-diene.

Molecular Properties

Compound Name1-hexa-2,4-dienylsulfonylhexa-2,4-diene
PubChem CID57050656
Molecular FormulaC12H18O2S
Molecular Weight226.34 g/mol
Exact Mass226.10
IUPAC Name1-hexa-2,4-dienylsulfonylhexa-2,4-diene
SMILESCC=CC=CCS(=O)(=O)CC=CC=CC
InChIInChI=1S/C12H18O2S/c1-3-5-7-9-11-15(13,14)12-10-8-6-4-2/h3-10H,11-12H2,1-2H3
InChIKeyARTLQCHVEJXHNQ-UHFFFAOYSA-N
XLogP2.67
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[3,3,3-tris(hexa-2,4-dienylsulfonyl)-2,2-dimethylpropyl]sulfonylhexa-2,4-diene
CID 158466542
[(2Z,4Z)-hexa-2,4-dienyl] sulfamate
CID 134484581
(4E)-hexa-2,4-diene
CID 22435466
(4Z,6E)-octa-4,6-dienal
CID 58249814
3-[(E)-but-2-enyl]sulfonylpropan-1-amine
CID 58684292
7-methylocta-2,4-diene
CID 519923
ethane;(2Z,4Z,6Z)-nona-2,4,6-triene
CID 142106659
ethane;(2Z,4Z)-hexa-2,4-diene
CID 90738434
(2E,4E)-N,N-dimethylhexa-2,4-dien-1-amine
CID 12628261
(2E,4E)-7-bromohepta-2,4-diene
CID 12853153
ethane;(2Z,4Z)-7-methylocta-2,4-diene
CID 143708090
sodium (3E,5E)-hepta-3,5-dienoate
CID 102011094

Frequently Asked Questions

What is the IUPAC name of 1-hexa-2,4-dienylsulfonylhexa-2,4-diene?
The IUPAC name of 1-hexa-2,4-dienylsulfonylhexa-2,4-diene (CID 57050656) is 1-hexa-2,4-dienylsulfonylhexa-2,4-diene.
What is the SMILES notation for 1-hexa-2,4-dienylsulfonylhexa-2,4-diene?
The canonical SMILES for 1-hexa-2,4-dienylsulfonylhexa-2,4-diene is CC=CC=CCS(=O)(=O)CC=CC=CC.
What is the InChIKey of 1-hexa-2,4-dienylsulfonylhexa-2,4-diene?
The InChIKey is ARTLQCHVEJXHNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2S/c1-3-5-7-9-11-15(13,14)12-10-8-6-4-2/h3-10H,11-12H2,1-2H3.
What are the key properties of 1-hexa-2,4-dienylsulfonylhexa-2,4-diene?
1-hexa-2,4-dienylsulfonylhexa-2,4-diene has a molecular weight of 226.34 g/mol, XLogP of 2.67, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexa-2,4-dienylsulfonylhexa-2,4-diene is sourced from PubChem (CID 57050656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).