(1Z)-5-methylsulfonylcyclooctene

C9H16O2S — CID 67958396

IUPAC(1Z)-5-methylsulfonylcyclooctene
SMILESCS(=O)(=O)C1CC/C=C\CCC1
InChIInChI=1S/C9H16O2S/c1-12(10,11)9-7-5-3-2-4-6-8-9/h2-3,9H,4-8H2,1H3/b3-2-
InChIKeyHINWYQUKAAAUQR-IHWYPQMZSA-N
MW188.29 g/mol
LogP1.92
Rot. Bonds1

About (1Z)-5-methylsulfonylcyclooctene

(1Z)-5-methylsulfonylcyclooctene (PubChem CID 67958396) has the molecular formula C9H16O2S and a molecular weight of 188.29 g/mol. Its IUPAC name is (1Z)-5-methylsulfonylcyclooctene.

Molecular Properties

Compound Name(1Z)-5-methylsulfonylcyclooctene
PubChem CID67958396
Molecular FormulaC9H16O2S
Molecular Weight188.29 g/mol
Exact Mass188.09
IUPAC Name(1Z)-5-methylsulfonylcyclooctene
SMILESCS(=O)(=O)C1CC/C=C\CCC1
InChIInChI=1S/C9H16O2S/c1-12(10,11)9-7-5-3-2-4-6-8-9/h2-3,9H,4-8H2,1H3/b3-2-
InChIKeyHINWYQUKAAAUQR-IHWYPQMZSA-N
XLogP1.92
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.29
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1Z)-5-methylsulfonylcyclooctene?
The IUPAC name of (1Z)-5-methylsulfonylcyclooctene (CID 67958396) is (1Z)-5-methylsulfonylcyclooctene.
What is the SMILES notation for (1Z)-5-methylsulfonylcyclooctene?
The canonical SMILES for (1Z)-5-methylsulfonylcyclooctene is CS(=O)(=O)C1CC/C=C\CCC1.
What is the InChIKey of (1Z)-5-methylsulfonylcyclooctene?
The InChIKey is HINWYQUKAAAUQR-IHWYPQMZSA-N. The full InChI is InChI=1S/C9H16O2S/c1-12(10,11)9-7-5-3-2-4-6-8-9/h2-3,9H,4-8H2,1H3/b3-2-.
What are the key properties of (1Z)-5-methylsulfonylcyclooctene?
(1Z)-5-methylsulfonylcyclooctene has a molecular weight of 188.29 g/mol, XLogP of 1.92, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-5-methylsulfonylcyclooctene is sourced from PubChem (CID 67958396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).