4,5,5-trimethylhexa-2,3-dienylsulfonylbenzene

C15H20O2S — CID 15195507

IUPAC4,5,5-trimethylhexa-2,3-dienylsulfonylbenzene
SMILESCC(=C=CCS(=O)(=O)c1ccccc1)C(C)(C)C
InChIInChI=1S/C15H20O2S/c1-13(15(2,3)4)9-8-12-18(16,17)14-10-6-5-7-11-14/h5-8,10-11H,12H2,1-4H3
InChIKeyKVQDJBHJDTVUHT-UHFFFAOYSA-N
MW264.39 g/mol
LogP3.61
Rot. Bonds3

About 4,5,5-trimethylhexa-2,3-dienylsulfonylbenzene

4,5,5-trimethylhexa-2,3-dienylsulfonylbenzene (PubChem CID 15195507) has the molecular formula C15H20O2S and a molecular weight of 264.39 g/mol. Its IUPAC name is 4,5,5-trimethylhexa-2,3-dienylsulfonylbenzene.

Molecular Properties

Compound Name4,5,5-trimethylhexa-2,3-dienylsulfonylbenzene
PubChem CID15195507
Molecular FormulaC15H20O2S
Molecular Weight264.39 g/mol
Exact Mass264.12
IUPAC Name4,5,5-trimethylhexa-2,3-dienylsulfonylbenzene
SMILESCC(=C=CCS(=O)(=O)c1ccccc1)C(C)(C)C
InChIInChI=1S/C15H20O2S/c1-13(15(2,3)4)9-8-12-18(16,17)14-10-6-5-7-11-14/h5-8,10-11H,12H2,1-4H3
InChIKeyKVQDJBHJDTVUHT-UHFFFAOYSA-N
XLogP3.61
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 ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 10399384
(E)-4-(benzenesulfonyl)but-2-en-1-ol
CID 102081679
fluorobenzene;prop-2-enylsulfonylbenzene
CID 174649158
[5-(benzenesulfonyl)-3-methylpenta-1,3-dienyl]benzene
CID 73004123
[(2E)-3,4-bis(benzenesulfonyl)-5-methylhexa-2,4-dienyl]sulfonylbenzene
CID 17373692
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CID 13382269
[(E)-3-bromo-2-methylprop-2-enyl]sulfonylbenzene
CID 11637643
[(E)-3-methyldodec-2-enyl]sulfonylbenzene
CID 10990909
N-[(E)-[(E)-4-(benzenesulfonyl)-2-methylbut-2-enylidene]amino]-N-methylmethanamine
CID 142727782
2-acetamido-3-(benzenesulfonyl)-N-tert-butyl-2-methylpropanamide
CID 25181142
(Z)-4-(benzenesulfonyl)-2-phenylbut-2-en-1-ol
CID 132580999
carbonic acid;1-methyl-4-prop-2-enylsulfonylbenzene
CID 159550827

Frequently Asked Questions

What is the IUPAC name of 4,5,5-trimethylhexa-2,3-dienylsulfonylbenzene?
The IUPAC name of 4,5,5-trimethylhexa-2,3-dienylsulfonylbenzene (CID 15195507) is 4,5,5-trimethylhexa-2,3-dienylsulfonylbenzene.
What is the SMILES notation for 4,5,5-trimethylhexa-2,3-dienylsulfonylbenzene?
The canonical SMILES for 4,5,5-trimethylhexa-2,3-dienylsulfonylbenzene is CC(=C=CCS(=O)(=O)c1ccccc1)C(C)(C)C.
What is the InChIKey of 4,5,5-trimethylhexa-2,3-dienylsulfonylbenzene?
The InChIKey is KVQDJBHJDTVUHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2S/c1-13(15(2,3)4)9-8-12-18(16,17)14-10-6-5-7-11-14/h5-8,10-11H,12H2,1-4H3.
What are the key properties of 4,5,5-trimethylhexa-2,3-dienylsulfonylbenzene?
4,5,5-trimethylhexa-2,3-dienylsulfonylbenzene has a molecular weight of 264.39 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,5-trimethylhexa-2,3-dienylsulfonylbenzene is sourced from PubChem (CID 15195507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).