4-ethylidene-1,2,6-trimethyl-1-methylsulfanylcyclohexane

C12H22S — CID 23530526

IUPAC4-ethylidene-1,2,6-trimethyl-1-methylsulfanylcyclohexane
SMILESCC=C1CC(C)C(C)(SC)C(C)C1
InChIInChI=1S/C12H22S/c1-6-11-7-9(2)12(4,13-5)10(3)8-11/h6,9-10H,7-8H2,1-5H3/b11-6-
InChIKeyPMIZTBVSDDIEOV-WDZFZDKYSA-N
MW198.38 g/mol
LogP4.12
Rot. Bonds1

About 4-ethylidene-1,2,6-trimethyl-1-methylsulfanylcyclohexane

4-ethylidene-1,2,6-trimethyl-1-methylsulfanylcyclohexane (PubChem CID 23530526) has the molecular formula C12H22S and a molecular weight of 198.38 g/mol. Its IUPAC name is 4-ethylidene-1,2,6-trimethyl-1-methylsulfanylcyclohexane.

Molecular Properties

Compound Name4-ethylidene-1,2,6-trimethyl-1-methylsulfanylcyclohexane
PubChem CID23530526
Molecular FormulaC12H22S
Molecular Weight198.38 g/mol
Exact Mass198.14
IUPAC Name4-ethylidene-1,2,6-trimethyl-1-methylsulfanylcyclohexane
SMILESCC=C1CC(C)C(C)(SC)C(C)C1
InChIInChI=1S/C12H22S/c1-6-11-7-9(2)12(4,13-5)10(3)8-11/h6,9-10H,7-8H2,1-5H3/b11-6-
InChIKeyPMIZTBVSDDIEOV-WDZFZDKYSA-N
XLogP4.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.38
LogP ≤ 54.12
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 4-ethylidene-1,2,6-trimethyl-1-methylsulfanylcyclohexane?
The IUPAC name of 4-ethylidene-1,2,6-trimethyl-1-methylsulfanylcyclohexane (CID 23530526) is 4-ethylidene-1,2,6-trimethyl-1-methylsulfanylcyclohexane.
What is the SMILES notation for 4-ethylidene-1,2,6-trimethyl-1-methylsulfanylcyclohexane?
The canonical SMILES for 4-ethylidene-1,2,6-trimethyl-1-methylsulfanylcyclohexane is CC=C1CC(C)C(C)(SC)C(C)C1.
What is the InChIKey of 4-ethylidene-1,2,6-trimethyl-1-methylsulfanylcyclohexane?
The InChIKey is PMIZTBVSDDIEOV-WDZFZDKYSA-N. The full InChI is InChI=1S/C12H22S/c1-6-11-7-9(2)12(4,13-5)10(3)8-11/h6,9-10H,7-8H2,1-5H3/b11-6-.
What are the key properties of 4-ethylidene-1,2,6-trimethyl-1-methylsulfanylcyclohexane?
4-ethylidene-1,2,6-trimethyl-1-methylsulfanylcyclohexane has a molecular weight of 198.38 g/mol, XLogP of 4.12, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylidene-1,2,6-trimethyl-1-methylsulfanylcyclohexane is sourced from PubChem (CID 23530526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).