9-methylsulfonylnon-1-ene

C10H20O2S — CID 23287936

IUPAC9-methylsulfonylnon-1-ene
SMILESC=CCCCCCCCS(C)(=O)=O
InChIInChI=1S/C10H20O2S/c1-3-4-5-6-7-8-9-10-13(2,11)12/h3H,1,4-10H2,2H3
InChIKeyOIIIRUSLNKOGML-UHFFFAOYSA-N
MW204.33 g/mol
LogP2.56
Rot. Bonds8

About 9-methylsulfonylnon-1-ene

9-methylsulfonylnon-1-ene (PubChem CID 23287936) has the molecular formula C10H20O2S and a molecular weight of 204.33 g/mol. Its IUPAC name is 9-methylsulfonylnon-1-ene.

Molecular Properties

Compound Name9-methylsulfonylnon-1-ene
PubChem CID23287936
Molecular FormulaC10H20O2S
Molecular Weight204.33 g/mol
Exact Mass204.12
IUPAC Name9-methylsulfonylnon-1-ene
SMILESC=CCCCCCCCS(C)(=O)=O
InChIInChI=1S/C10H20O2S/c1-3-4-5-6-7-8-9-10-13(2,11)12/h3H,1,4-10H2,2H3
InChIKeyOIIIRUSLNKOGML-UHFFFAOYSA-N
XLogP2.56
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.33
LogP ≤ 52.56
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 9-methylsulfonylnon-1-ene?
The IUPAC name of 9-methylsulfonylnon-1-ene (CID 23287936) is 9-methylsulfonylnon-1-ene.
What is the SMILES notation for 9-methylsulfonylnon-1-ene?
The canonical SMILES for 9-methylsulfonylnon-1-ene is C=CCCCCCCCS(C)(=O)=O.
What is the InChIKey of 9-methylsulfonylnon-1-ene?
The InChIKey is OIIIRUSLNKOGML-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2S/c1-3-4-5-6-7-8-9-10-13(2,11)12/h3H,1,4-10H2,2H3.
What are the key properties of 9-methylsulfonylnon-1-ene?
9-methylsulfonylnon-1-ene has a molecular weight of 204.33 g/mol, XLogP of 2.56, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methylsulfonylnon-1-ene is sourced from PubChem (CID 23287936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).