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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Related Compounds

Methyl 4-methyl-2-prop-1-en-2-ylpent-4-enedithioate
CID 13610896
2,3,3-Trimethyl-4-methylsulfanyl-4-propylsulfanylhept-1-ene
CID 134930251
4-Ethylsulfanyl-2,3,3-trimethyl-4-methylsulfanylhex-1-ene
CID 134986735
2,6-Dimethyl-8-methylsulfanyloct-2-ene
CID 18786829
1-Methyl-4-(3-methylbut-3-enyl)thian-1-ium
CID 20664953
3-Ethyl-5-methylidenethiepane
CID 53782997
3-(3,3-Dimethylbutan-2-ylsulfanyl)-2,4,4-trimethylpent-1-ene
CID 57660034
3,3-Di(propan-2-yl)-2,4-dihydrothiopyran
CID 58055924
4-tert-butyl-3,4-dihydro-2H-thiopyran
CID 58408014
4-Tert-butyl-2-methylidenethiolane
CID 58416246
(6R)-2,6-dimethyl-8-methylsulfanyloct-2-ene
CID 58630572
(6S)-2,6-dimethyl-8-methylsulfanyloct-2-ene
CID 58630601

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).