2-methyl-5-sulfonylpent-1-ene

C6H10O2S — CID 134894544

IUPAC2-methyl-5-sulfonylpent-1-ene
SMILESC=C(C)CCC=S(=O)=O
InChIInChI=1S/C6H10O2S/c1-6(2)4-3-5-9(7)8/h5H,1,3-4H2,2H3
InChIKeyFSJNLCGVKHTBBY-UHFFFAOYSA-N
MW146.21 g/mol
LogP1.02
Rot. Bonds3

About 2-methyl-5-sulfonylpent-1-ene

2-methyl-5-sulfonylpent-1-ene (PubChem CID 134894544) has the molecular formula C6H10O2S and a molecular weight of 146.21 g/mol. Its IUPAC name is 2-methyl-5-sulfonylpent-1-ene.

Molecular Properties

Compound Name2-methyl-5-sulfonylpent-1-ene
PubChem CID134894544
Molecular FormulaC6H10O2S
Molecular Weight146.21 g/mol
Exact Mass146.04
IUPAC Name2-methyl-5-sulfonylpent-1-ene
SMILESC=C(C)CCC=S(=O)=O
InChIInChI=1S/C6H10O2S/c1-6(2)4-3-5-9(7)8/h5H,1,3-4H2,2H3
InChIKeyFSJNLCGVKHTBBY-UHFFFAOYSA-N
XLogP1.02
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.21
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_aldehyd_A(3)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-sulfonylpent-1-ene?
The IUPAC name of 2-methyl-5-sulfonylpent-1-ene (CID 134894544) is 2-methyl-5-sulfonylpent-1-ene.
What is the SMILES notation for 2-methyl-5-sulfonylpent-1-ene?
The canonical SMILES for 2-methyl-5-sulfonylpent-1-ene is C=C(C)CCC=S(=O)=O.
What is the InChIKey of 2-methyl-5-sulfonylpent-1-ene?
The InChIKey is FSJNLCGVKHTBBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O2S/c1-6(2)4-3-5-9(7)8/h5H,1,3-4H2,2H3.
What are the key properties of 2-methyl-5-sulfonylpent-1-ene?
2-methyl-5-sulfonylpent-1-ene has a molecular weight of 146.21 g/mol, XLogP of 1.02, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-sulfonylpent-1-ene is sourced from PubChem (CID 134894544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).