1,4-dimethyl-2-methylsulfanylcyclohexene

C9H16S — CID 20605796

IUPAC1,4-dimethyl-2-methylsulfanylcyclohexene
SMILESCSC1=C(C)CCC(C)C1
InChIInChI=1S/C9H16S/c1-7-4-5-8(2)9(6-7)10-3/h7H,4-6H2,1-3H3
InChIKeyAWMMNACUQHFSKM-UHFFFAOYSA-N
MW156.29 g/mol
LogP3.44
Rot. Bonds1

About 1,4-dimethyl-2-methylsulfanylcyclohexene

1,4-dimethyl-2-methylsulfanylcyclohexene (PubChem CID 20605796) has the molecular formula C9H16S and a molecular weight of 156.29 g/mol. Its IUPAC name is 1,4-dimethyl-2-methylsulfanylcyclohexene.

Molecular Properties

Compound Name1,4-dimethyl-2-methylsulfanylcyclohexene
PubChem CID20605796
Molecular FormulaC9H16S
Molecular Weight156.29 g/mol
Exact Mass156.10
IUPAC Name1,4-dimethyl-2-methylsulfanylcyclohexene
SMILESCSC1=C(C)CCC(C)C1
InChIInChI=1S/C9H16S/c1-7-4-5-8(2)9(6-7)10-3/h7H,4-6H2,1-3H3
InChIKeyAWMMNACUQHFSKM-UHFFFAOYSA-N
XLogP3.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.29
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-2-methylsulfanylcyclohexene?
The IUPAC name of 1,4-dimethyl-2-methylsulfanylcyclohexene (CID 20605796) is 1,4-dimethyl-2-methylsulfanylcyclohexene.
What is the SMILES notation for 1,4-dimethyl-2-methylsulfanylcyclohexene?
The canonical SMILES for 1,4-dimethyl-2-methylsulfanylcyclohexene is CSC1=C(C)CCC(C)C1.
What is the InChIKey of 1,4-dimethyl-2-methylsulfanylcyclohexene?
The InChIKey is AWMMNACUQHFSKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16S/c1-7-4-5-8(2)9(6-7)10-3/h7H,4-6H2,1-3H3.
What are the key properties of 1,4-dimethyl-2-methylsulfanylcyclohexene?
1,4-dimethyl-2-methylsulfanylcyclohexene has a molecular weight of 156.29 g/mol, XLogP of 3.44, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-2-methylsulfanylcyclohexene is sourced from PubChem (CID 20605796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).