5-ethenylsulfonylpent-1-ene

C7H12O2S — CID 20616006

IUPAC5-ethenylsulfonylpent-1-ene
SMILESC=CCCCS(=O)(=O)C=C
InChIInChI=1S/C7H12O2S/c1-3-5-6-7-10(8,9)4-2/h3-4H,1-2,5-7H2
InChIKeyVCNNJXIYKNCISC-UHFFFAOYSA-N
MW160.24 g/mol
LogP1.51
Rot. Bonds5

About 5-ethenylsulfonylpent-1-ene

5-ethenylsulfonylpent-1-ene (PubChem CID 20616006) has the molecular formula C7H12O2S and a molecular weight of 160.24 g/mol. Its IUPAC name is 5-ethenylsulfonylpent-1-ene.

Molecular Properties

Compound Name5-ethenylsulfonylpent-1-ene
PubChem CID20616006
Molecular FormulaC7H12O2S
Molecular Weight160.24 g/mol
Exact Mass160.06
IUPAC Name5-ethenylsulfonylpent-1-ene
SMILESC=CCCCS(=O)(=O)C=C
InChIInChI=1S/C7H12O2S/c1-3-5-6-7-10(8,9)4-2/h3-4H,1-2,5-7H2
InChIKeyVCNNJXIYKNCISC-UHFFFAOYSA-N
XLogP1.51
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.24
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-ethenylsulfonylpent-1-ene?
The IUPAC name of 5-ethenylsulfonylpent-1-ene (CID 20616006) is 5-ethenylsulfonylpent-1-ene.
What is the SMILES notation for 5-ethenylsulfonylpent-1-ene?
The canonical SMILES for 5-ethenylsulfonylpent-1-ene is C=CCCCS(=O)(=O)C=C.
What is the InChIKey of 5-ethenylsulfonylpent-1-ene?
The InChIKey is VCNNJXIYKNCISC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O2S/c1-3-5-6-7-10(8,9)4-2/h3-4H,1-2,5-7H2.
What are the key properties of 5-ethenylsulfonylpent-1-ene?
5-ethenylsulfonylpent-1-ene has a molecular weight of 160.24 g/mol, XLogP of 1.51, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenylsulfonylpent-1-ene is sourced from PubChem (CID 20616006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).