1-methylidene-5-(methylsulfonylmethylidene)cyclooctane

C11H18O2S — CID 67555820

IUPAC1-methylidene-5-(methylsulfonylmethylidene)cyclooctane
SMILESC=C1CCCC(=CS(C)(=O)=O)CCC1
InChIInChI=1S/C11H18O2S/c1-10-5-3-7-11(8-4-6-10)9-14(2,12)13/h9H,1,3-8H2,2H3
InChIKeyLZVSRXXGKHLYFC-UHFFFAOYSA-N
MW214.33 g/mol
LogP2.83
Rot. Bonds1

About 1-methylidene-5-(methylsulfonylmethylidene)cyclooctane

1-methylidene-5-(methylsulfonylmethylidene)cyclooctane (PubChem CID 67555820) has the molecular formula C11H18O2S and a molecular weight of 214.33 g/mol. Its IUPAC name is 1-methylidene-5-(methylsulfonylmethylidene)cyclooctane.

Molecular Properties

Compound Name1-methylidene-5-(methylsulfonylmethylidene)cyclooctane
PubChem CID67555820
Molecular FormulaC11H18O2S
Molecular Weight214.33 g/mol
Exact Mass214.10
IUPAC Name1-methylidene-5-(methylsulfonylmethylidene)cyclooctane
SMILESC=C1CCCC(=CS(C)(=O)=O)CCC1
InChIInChI=1S/C11H18O2S/c1-10-5-3-7-11(8-4-6-10)9-14(2,12)13/h9H,1,3-8H2,2H3
InChIKeyLZVSRXXGKHLYFC-UHFFFAOYSA-N
XLogP2.83
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 52.83
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 1-methylidene-5-(methylsulfonylmethylidene)cyclooctane?
The IUPAC name of 1-methylidene-5-(methylsulfonylmethylidene)cyclooctane (CID 67555820) is 1-methylidene-5-(methylsulfonylmethylidene)cyclooctane.
What is the SMILES notation for 1-methylidene-5-(methylsulfonylmethylidene)cyclooctane?
The canonical SMILES for 1-methylidene-5-(methylsulfonylmethylidene)cyclooctane is C=C1CCCC(=CS(C)(=O)=O)CCC1.
What is the InChIKey of 1-methylidene-5-(methylsulfonylmethylidene)cyclooctane?
The InChIKey is LZVSRXXGKHLYFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2S/c1-10-5-3-7-11(8-4-6-10)9-14(2,12)13/h9H,1,3-8H2,2H3.
What are the key properties of 1-methylidene-5-(methylsulfonylmethylidene)cyclooctane?
1-methylidene-5-(methylsulfonylmethylidene)cyclooctane has a molecular weight of 214.33 g/mol, XLogP of 2.83, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylidene-5-(methylsulfonylmethylidene)cyclooctane is sourced from PubChem (CID 67555820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).