1-ethyl-4,5-dimethyl-2-methylsulfanylcyclohexene

C11H20S — CID 123229612

IUPAC1-ethyl-4,5-dimethyl-2-methylsulfanylcyclohexene
SMILESCCC1=C(SC)CC(C)C(C)C1
InChIInChI=1S/C11H20S/c1-5-10-6-8(2)9(3)7-11(10)12-4/h8-9H,5-7H2,1-4H3
InChIKeyOUKYPTWTIOIJNQ-UHFFFAOYSA-N
MW184.35 g/mol
LogP4.08
Rot. Bonds2

About 1-ethyl-4,5-dimethyl-2-methylsulfanylcyclohexene

1-ethyl-4,5-dimethyl-2-methylsulfanylcyclohexene (PubChem CID 123229612) has the molecular formula C11H20S and a molecular weight of 184.35 g/mol. Its IUPAC name is 1-ethyl-4,5-dimethyl-2-methylsulfanylcyclohexene.

Molecular Properties

Compound Name1-ethyl-4,5-dimethyl-2-methylsulfanylcyclohexene
PubChem CID123229612
Molecular FormulaC11H20S
Molecular Weight184.35 g/mol
Exact Mass184.13
IUPAC Name1-ethyl-4,5-dimethyl-2-methylsulfanylcyclohexene
SMILESCCC1=C(SC)CC(C)C(C)C1
InChIInChI=1S/C11H20S/c1-5-10-6-8(2)9(3)7-11(10)12-4/h8-9H,5-7H2,1-4H3
InChIKeyOUKYPTWTIOIJNQ-UHFFFAOYSA-N
XLogP4.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.35
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Methyl(2-(4-methylcyclohex-3-en-1-yl)propyl)sulfane
CID 134128395
1-Isopropyl-4-methyl-3,4-bis(methylthio)-1-cyclohexene
CID 375769
9-Methyl-octahydrothioxanthene
CID 12456146
1-Butyl-2-butylsulfanyl-3-methyl-6-propan-2-ylcyclohexene
CID 12627278
4,7-Di(methylthio)menth-1-ene
CID 129882097
Cyclohexene, 1-methyl-4-[1-methyl-1,2-bis-(methylthio)ethyl]
CID 524121
4,7,7-Trimethyl-6-thiabicyclo[3.2.1]oct-4-ene
CID 71362402
1,4-Dimethyl-2-methylsulfanylcyclohexene
CID 20605796
2,3,3-Trimethyl-1-(3-methylsulfanylbutyl)cyclohexene
CID 57119932
2,3,4,5,6-pentamethyl-3,4-dihydro-2H-thiopyran
CID 59945016
(3S,4R,5R)-1,3,4-trimethyl-5-methylsulfanylcyclohexene
CID 59954437
(3S,4R,5S)-1,4,5-trimethyl-3-methylsulfanylcyclohexene
CID 59954536

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4,5-dimethyl-2-methylsulfanylcyclohexene?
The IUPAC name of 1-ethyl-4,5-dimethyl-2-methylsulfanylcyclohexene (CID 123229612) is 1-ethyl-4,5-dimethyl-2-methylsulfanylcyclohexene.
What is the SMILES notation for 1-ethyl-4,5-dimethyl-2-methylsulfanylcyclohexene?
The canonical SMILES for 1-ethyl-4,5-dimethyl-2-methylsulfanylcyclohexene is CCC1=C(SC)CC(C)C(C)C1.
What is the InChIKey of 1-ethyl-4,5-dimethyl-2-methylsulfanylcyclohexene?
The InChIKey is OUKYPTWTIOIJNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20S/c1-5-10-6-8(2)9(3)7-11(10)12-4/h8-9H,5-7H2,1-4H3.
What are the key properties of 1-ethyl-4,5-dimethyl-2-methylsulfanylcyclohexene?
1-ethyl-4,5-dimethyl-2-methylsulfanylcyclohexene has a molecular weight of 184.35 g/mol, XLogP of 4.08, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4,5-dimethyl-2-methylsulfanylcyclohexene is sourced from PubChem (CID 123229612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).