[(3R)-3-methylhex-5-enyl]sulfonylbenzene

C13H18O2S — CID 141118186

IUPAC[(3R)-3-methylhex-5-enyl]sulfonylbenzene
SMILESC=CC[C@@H](C)CCS(=O)(=O)c1ccccc1
InChIInChI=1S/C13H18O2S/c1-3-7-12(2)10-11-16(14,15)13-8-5-4-6-9-13/h3-6,8-9,12H,1,7,10-11H2,2H3/t12-/m1/s1
InChIKeyZHGNEIJLSVUTSL-GFCCVEGCSA-N
MW238.35 g/mol
LogP3.06
Rot. Bonds6

About [(3R)-3-methylhex-5-enyl]sulfonylbenzene

[(3R)-3-methylhex-5-enyl]sulfonylbenzene (PubChem CID 141118186) has the molecular formula C13H18O2S and a molecular weight of 238.35 g/mol. Its IUPAC name is [(3R)-3-methylhex-5-enyl]sulfonylbenzene.

Molecular Properties

Compound Name[(3R)-3-methylhex-5-enyl]sulfonylbenzene
PubChem CID141118186
Molecular FormulaC13H18O2S
Molecular Weight238.35 g/mol
Exact Mass238.10
IUPAC Name[(3R)-3-methylhex-5-enyl]sulfonylbenzene
SMILESC=CC[C@@H](C)CCS(=O)(=O)c1ccccc1
InChIInChI=1S/C13H18O2S/c1-3-7-12(2)10-11-16(14,15)13-8-5-4-6-9-13/h3-6,8-9,12H,1,7,10-11H2,2H3/t12-/m1/s1
InChIKeyZHGNEIJLSVUTSL-GFCCVEGCSA-N
XLogP3.06
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.35
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-[(2R)-4-(benzenesulfonyl)-2-methylbutyl]oxirane
CID 11086314
1-methyl-4-(3-phenylhex-5-enylsulfonyl)benzene
CID 158844988
1-(benzenesulfonyl)hept-6-en-3-ol
CID 164677064
4-(benzenesulfonyl)-2-methylhept-6-en-1-ol
CID 142673689
1-chlorobut-3-enylsulfonylbenzene
CID 13411540
1-pent-4-en-2-yl-3-propylsulfonylbenzene
CID 83926744
2-(2-methylpropylsulfanyl)ethylsulfonylbenzene
CID 13394546
[(9S)-9-methyltridecyl]sulfonylbenzene
CID 11110546
[(4S)-4-methyloctadecyl]sulfonylbenzene
CID 10645166
[(2R)-2-methylpent-4-enyl]benzene
CID 163762006
1-(benzenesulfonyl)pent-4-en-2-yl acetate
CID 134859712
4-(benzenesulfonyl)-3-methylbutan-1-amine
CID 115036309

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-methylhex-5-enyl]sulfonylbenzene?
The IUPAC name of [(3R)-3-methylhex-5-enyl]sulfonylbenzene (CID 141118186) is [(3R)-3-methylhex-5-enyl]sulfonylbenzene.
What is the SMILES notation for [(3R)-3-methylhex-5-enyl]sulfonylbenzene?
The canonical SMILES for [(3R)-3-methylhex-5-enyl]sulfonylbenzene is C=CC[C@@H](C)CCS(=O)(=O)c1ccccc1.
What is the InChIKey of [(3R)-3-methylhex-5-enyl]sulfonylbenzene?
The InChIKey is ZHGNEIJLSVUTSL-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H18O2S/c1-3-7-12(2)10-11-16(14,15)13-8-5-4-6-9-13/h3-6,8-9,12H,1,7,10-11H2,2H3/t12-/m1/s1.
What are the key properties of [(3R)-3-methylhex-5-enyl]sulfonylbenzene?
[(3R)-3-methylhex-5-enyl]sulfonylbenzene has a molecular weight of 238.35 g/mol, XLogP of 3.06, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-methylhex-5-enyl]sulfonylbenzene is sourced from PubChem (CID 141118186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).