3-[bis(ethylsulfanyl)methylidene]-1,1,5-trimethylcyclohexane

C14H26S2 — CID 134986582

IUPAC3-[bis(ethylsulfanyl)methylidene]-1,1,5-trimethylcyclohexane
SMILESCCSC(SCC)=C1CC(C)CC(C)(C)C1
InChIInChI=1S/C14H26S2/c1-6-15-13(16-7-2)12-8-11(3)9-14(4,5)10-12/h11H,6-10H2,1-5H3
InChIKeyGSNVNHZZBMWYDZ-UHFFFAOYSA-N
MW258.50 g/mol
LogP5.55
Rot. Bonds4

About 3-[bis(ethylsulfanyl)methylidene]-1,1,5-trimethylcyclohexane

3-[bis(ethylsulfanyl)methylidene]-1,1,5-trimethylcyclohexane (PubChem CID 134986582) has the molecular formula C14H26S2 and a molecular weight of 258.50 g/mol. Its IUPAC name is 3-[bis(ethylsulfanyl)methylidene]-1,1,5-trimethylcyclohexane.

Molecular Properties

Compound Name3-[bis(ethylsulfanyl)methylidene]-1,1,5-trimethylcyclohexane
PubChem CID134986582
Molecular FormulaC14H26S2
Molecular Weight258.50 g/mol
Exact Mass258.15
IUPAC Name3-[bis(ethylsulfanyl)methylidene]-1,1,5-trimethylcyclohexane
SMILESCCSC(SCC)=C1CC(C)CC(C)(C)C1
InChIInChI=1S/C14H26S2/c1-6-15-13(16-7-2)12-8-11(3)9-14(4,5)10-12/h11H,6-10H2,1-5H3
InChIKeyGSNVNHZZBMWYDZ-UHFFFAOYSA-N
XLogP5.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500258.50
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[bis(ethylsulfanyl)methylidene]-1,1,5-trimethylcyclohexane?
The IUPAC name of 3-[bis(ethylsulfanyl)methylidene]-1,1,5-trimethylcyclohexane (CID 134986582) is 3-[bis(ethylsulfanyl)methylidene]-1,1,5-trimethylcyclohexane.
What is the SMILES notation for 3-[bis(ethylsulfanyl)methylidene]-1,1,5-trimethylcyclohexane?
The canonical SMILES for 3-[bis(ethylsulfanyl)methylidene]-1,1,5-trimethylcyclohexane is CCSC(SCC)=C1CC(C)CC(C)(C)C1.
What is the InChIKey of 3-[bis(ethylsulfanyl)methylidene]-1,1,5-trimethylcyclohexane?
The InChIKey is GSNVNHZZBMWYDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26S2/c1-6-15-13(16-7-2)12-8-11(3)9-14(4,5)10-12/h11H,6-10H2,1-5H3.
What are the key properties of 3-[bis(ethylsulfanyl)methylidene]-1,1,5-trimethylcyclohexane?
3-[bis(ethylsulfanyl)methylidene]-1,1,5-trimethylcyclohexane has a molecular weight of 258.50 g/mol, XLogP of 5.55, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis(ethylsulfanyl)methylidene]-1,1,5-trimethylcyclohexane is sourced from PubChem (CID 134986582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).