1-methylidene-2-methylsulfanylcyclononane

C11H20S — CID 14529196

IUPAC1-methylidene-2-methylsulfanylcyclononane
SMILESC=C1CCCCCCCC1SC
InChIInChI=1S/C11H20S/c1-10-8-6-4-3-5-7-9-11(10)12-2/h11H,1,3-9H2,2H3
InChIKeyGAHWMGNERJFLSO-UHFFFAOYSA-N
MW184.35 g/mol
LogP4.02
Rot. Bonds1

About 1-methylidene-2-methylsulfanylcyclononane

1-methylidene-2-methylsulfanylcyclononane (PubChem CID 14529196) has the molecular formula C11H20S and a molecular weight of 184.35 g/mol. Its IUPAC name is 1-methylidene-2-methylsulfanylcyclononane.

Molecular Properties

Compound Name1-methylidene-2-methylsulfanylcyclononane
PubChem CID14529196
Molecular FormulaC11H20S
Molecular Weight184.35 g/mol
Exact Mass184.13
IUPAC Name1-methylidene-2-methylsulfanylcyclononane
SMILESC=C1CCCCCCCC1SC
InChIInChI=1S/C11H20S/c1-10-8-6-4-3-5-7-9-11(10)12-2/h11H,1,3-9H2,2H3
InChIKeyGAHWMGNERJFLSO-UHFFFAOYSA-N
XLogP4.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.35
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-2-methylsulfanylcyclononane?
The IUPAC name of 1-methylidene-2-methylsulfanylcyclononane (CID 14529196) is 1-methylidene-2-methylsulfanylcyclononane.
What is the SMILES notation for 1-methylidene-2-methylsulfanylcyclononane?
The canonical SMILES for 1-methylidene-2-methylsulfanylcyclononane is C=C1CCCCCCCC1SC.
What is the InChIKey of 1-methylidene-2-methylsulfanylcyclononane?
The InChIKey is GAHWMGNERJFLSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20S/c1-10-8-6-4-3-5-7-9-11(10)12-2/h11H,1,3-9H2,2H3.
What are the key properties of 1-methylidene-2-methylsulfanylcyclononane?
1-methylidene-2-methylsulfanylcyclononane has a molecular weight of 184.35 g/mol, XLogP of 4.02, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylidene-2-methylsulfanylcyclononane is sourced from PubChem (CID 14529196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).