2,2,4-trimethyl-3-methylidene-1-methylsulfanylhexane

C11H22S — CID 137446349

IUPAC2,2,4-trimethyl-3-methylidene-1-methylsulfanylhexane
SMILESC=C(C(C)CC)C(C)(C)CSC
InChIInChI=1S/C11H22S/c1-7-9(2)10(3)11(4,5)8-12-6/h9H,3,7-8H2,1-2,4-6H3
InChIKeyMUVWYCLXIYIWIT-UHFFFAOYSA-N
MW186.36 g/mol
LogP3.98
Rot. Bonds5

About 2,2,4-trimethyl-3-methylidene-1-methylsulfanylhexane

2,2,4-trimethyl-3-methylidene-1-methylsulfanylhexane (PubChem CID 137446349) has the molecular formula C11H22S and a molecular weight of 186.36 g/mol. Its IUPAC name is 2,2,4-trimethyl-3-methylidene-1-methylsulfanylhexane.

Molecular Properties

Compound Name2,2,4-trimethyl-3-methylidene-1-methylsulfanylhexane
PubChem CID137446349
Molecular FormulaC11H22S
Molecular Weight186.36 g/mol
Exact Mass186.14
IUPAC Name2,2,4-trimethyl-3-methylidene-1-methylsulfanylhexane
SMILESC=C(C(C)CC)C(C)(C)CSC
InChIInChI=1S/C11H22S/c1-7-9(2)10(3)11(4,5)8-12-6/h9H,3,7-8H2,1-2,4-6H3
InChIKeyMUVWYCLXIYIWIT-UHFFFAOYSA-N
XLogP3.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.36
LogP ≤ 53.98
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 2,2,4-trimethyl-3-methylidene-1-methylsulfanylhexane?
The IUPAC name of 2,2,4-trimethyl-3-methylidene-1-methylsulfanylhexane (CID 137446349) is 2,2,4-trimethyl-3-methylidene-1-methylsulfanylhexane.
What is the SMILES notation for 2,2,4-trimethyl-3-methylidene-1-methylsulfanylhexane?
The canonical SMILES for 2,2,4-trimethyl-3-methylidene-1-methylsulfanylhexane is C=C(C(C)CC)C(C)(C)CSC.
What is the InChIKey of 2,2,4-trimethyl-3-methylidene-1-methylsulfanylhexane?
The InChIKey is MUVWYCLXIYIWIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22S/c1-7-9(2)10(3)11(4,5)8-12-6/h9H,3,7-8H2,1-2,4-6H3.
What are the key properties of 2,2,4-trimethyl-3-methylidene-1-methylsulfanylhexane?
2,2,4-trimethyl-3-methylidene-1-methylsulfanylhexane has a molecular weight of 186.36 g/mol, XLogP of 3.98, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4-trimethyl-3-methylidene-1-methylsulfanylhexane is sourced from PubChem (CID 137446349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).