1-methylidene-2-methylsulfanylcyclotridecane

C15H28S — CID 14529197

IUPAC1-methylidene-2-methylsulfanylcyclotridecane
SMILESC=C1CCCCCCCCCCCC1SC
InChIInChI=1S/C15H28S/c1-14-12-10-8-6-4-3-5-7-9-11-13-15(14)16-2/h15H,1,3-13H2,2H3
InChIKeyLNFLWJAGHNPVGZ-UHFFFAOYSA-N
MW240.46 g/mol
LogP5.58
Rot. Bonds1

About 1-methylidene-2-methylsulfanylcyclotridecane

1-methylidene-2-methylsulfanylcyclotridecane (PubChem CID 14529197) has the molecular formula C15H28S and a molecular weight of 240.46 g/mol. Its IUPAC name is 1-methylidene-2-methylsulfanylcyclotridecane.

Molecular Properties

Compound Name1-methylidene-2-methylsulfanylcyclotridecane
PubChem CID14529197
Molecular FormulaC15H28S
Molecular Weight240.46 g/mol
Exact Mass240.19
IUPAC Name1-methylidene-2-methylsulfanylcyclotridecane
SMILESC=C1CCCCCCCCCCCC1SC
InChIInChI=1S/C15H28S/c1-14-12-10-8-6-4-3-5-7-9-11-13-15(14)16-2/h15H,1,3-13H2,2H3
InChIKeyLNFLWJAGHNPVGZ-UHFFFAOYSA-N
XLogP5.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500240.46
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-Butylsulfanyloct-1-ene
CID 14952207
2-Butan-2-ylsulfanyloct-1-ene
CID 14952208
1-Methylidene-2-methylsulfanylcyclohexane
CID 14529195
2-Octyl-2,3-dihydrothiophene
CID 15482765
1,2-Epithio-3-hexyl-3-butene
CID 57702307
2-Methyl-3,4-epithio-1-nonene
CID 57702328
2-Methylsulfanylnon-1-ene
CID 85970218
(Z)-2-methyl-1-methylsulfanyloct-1-ene
CID 100956910
5-Octyl-2,3-dihydro-1,4-dithiine
CID 11020709
(E)-1-propylsulfanyldec-1-ene
CID 12977961
(E)-1-butylsulfanyloct-1-ene
CID 13468729
1-Methylidene-2-methylsulfanylcyclononane
CID 14529196

Frequently Asked Questions

What is the IUPAC name of 1-methylidene-2-methylsulfanylcyclotridecane?
The IUPAC name of 1-methylidene-2-methylsulfanylcyclotridecane (CID 14529197) is 1-methylidene-2-methylsulfanylcyclotridecane.
What is the SMILES notation for 1-methylidene-2-methylsulfanylcyclotridecane?
The canonical SMILES for 1-methylidene-2-methylsulfanylcyclotridecane is C=C1CCCCCCCCCCCC1SC.
What is the InChIKey of 1-methylidene-2-methylsulfanylcyclotridecane?
The InChIKey is LNFLWJAGHNPVGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28S/c1-14-12-10-8-6-4-3-5-7-9-11-13-15(14)16-2/h15H,1,3-13H2,2H3.
What are the key properties of 1-methylidene-2-methylsulfanylcyclotridecane?
1-methylidene-2-methylsulfanylcyclotridecane has a molecular weight of 240.46 g/mol, XLogP of 5.58, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylidene-2-methylsulfanylcyclotridecane is sourced from PubChem (CID 14529197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).