1,4,4-trimethyl-2-methylsulfanylcyclohexene

C10H18S — CID 123488031

IUPAC1,4,4-trimethyl-2-methylsulfanylcyclohexene
SMILESCSC1=C(C)CCC(C)(C)C1
InChIInChI=1S/C10H18S/c1-8-5-6-10(2,3)7-9(8)11-4/h5-7H2,1-4H3
InChIKeyGGOLDHBLHSFLDT-UHFFFAOYSA-N
MW170.32 g/mol
LogP3.83
Rot. Bonds1

About 1,4,4-trimethyl-2-methylsulfanylcyclohexene

1,4,4-trimethyl-2-methylsulfanylcyclohexene (PubChem CID 123488031) has the molecular formula C10H18S and a molecular weight of 170.32 g/mol. Its IUPAC name is 1,4,4-trimethyl-2-methylsulfanylcyclohexene.

Molecular Properties

Compound Name1,4,4-trimethyl-2-methylsulfanylcyclohexene
PubChem CID123488031
Molecular FormulaC10H18S
Molecular Weight170.32 g/mol
Exact Mass170.11
IUPAC Name1,4,4-trimethyl-2-methylsulfanylcyclohexene
SMILESCSC1=C(C)CCC(C)(C)C1
InChIInChI=1S/C10H18S/c1-8-5-6-10(2,3)7-9(8)11-4/h5-7H2,1-4H3
InChIKeyGGOLDHBLHSFLDT-UHFFFAOYSA-N
XLogP3.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.32
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Methylidene-(3,5,5-trimethylcyclohex-2-en-1-ylidene)-lambda4-sulfane
CID 134878019
7,8-Dimethyl-5-thiaspiro[3.5]non-7-ene
CID 146167573
3,3,5,6-Tetramethyl-2,4-dihydrothiopyran
CID 18339223
1,4-Dimethyl-2-methylsulfanylcyclohexene
CID 20605796
2,3,3-Trimethyl-1-(3-methylsulfanylbutyl)cyclohexene
CID 57119932
4,4-dimethyl-3,5,6,7-tetrahydro-2H-1-benzothiophene
CID 59289799
1-Ethyl-4,5-dimethyl-2-methylsulfanylcyclohexene
CID 123229612
Trimethyl-(2,6,6-trimethylcyclohexen-1-yl)-lambda4-sulfane
CID 124028237
5-Tert-butyl-3-ethyl-4-(2-methylbutan-2-yl)-2,3-dihydrothiophene
CID 126658211
2,4-Diethyl-3-(2-methylbutan-2-yl)-2,5-dihydrothiophene
CID 137410685
1,3,3-Trimethyl-2-(1-methylsulfanylethyl)cyclopentene
CID 137413958
1-Ethylsulfanyl-2,3-dimethylcyclohexene
CID 141981505

Frequently Asked Questions

What is the IUPAC name of 1,4,4-trimethyl-2-methylsulfanylcyclohexene?
The IUPAC name of 1,4,4-trimethyl-2-methylsulfanylcyclohexene (CID 123488031) is 1,4,4-trimethyl-2-methylsulfanylcyclohexene.
What is the SMILES notation for 1,4,4-trimethyl-2-methylsulfanylcyclohexene?
The canonical SMILES for 1,4,4-trimethyl-2-methylsulfanylcyclohexene is CSC1=C(C)CCC(C)(C)C1.
What is the InChIKey of 1,4,4-trimethyl-2-methylsulfanylcyclohexene?
The InChIKey is GGOLDHBLHSFLDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18S/c1-8-5-6-10(2,3)7-9(8)11-4/h5-7H2,1-4H3.
What are the key properties of 1,4,4-trimethyl-2-methylsulfanylcyclohexene?
1,4,4-trimethyl-2-methylsulfanylcyclohexene has a molecular weight of 170.32 g/mol, XLogP of 3.83, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,4-trimethyl-2-methylsulfanylcyclohexene is sourced from PubChem (CID 123488031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).