2-methyl-1-methylsulfanyl-4-propylcyclohexane

C11H22S — CID 23394361

IUPAC2-methyl-1-methylsulfanyl-4-propylcyclohexane
SMILESCCCC1CCC(SC)C(C)C1
InChIInChI=1S/C11H22S/c1-4-5-10-6-7-11(12-3)9(2)8-10/h9-11H,4-8H2,1-3H3
InChIKeyOONBAOUUYLBSQG-UHFFFAOYSA-N
MW186.36 g/mol
LogP3.95
Rot. Bonds3

About 2-methyl-1-methylsulfanyl-4-propylcyclohexane

2-methyl-1-methylsulfanyl-4-propylcyclohexane (PubChem CID 23394361) has the molecular formula C11H22S and a molecular weight of 186.36 g/mol. Its IUPAC name is 2-methyl-1-methylsulfanyl-4-propylcyclohexane.

Molecular Properties

Compound Name2-methyl-1-methylsulfanyl-4-propylcyclohexane
PubChem CID23394361
Molecular FormulaC11H22S
Molecular Weight186.36 g/mol
Exact Mass186.14
IUPAC Name2-methyl-1-methylsulfanyl-4-propylcyclohexane
SMILESCCCC1CCC(SC)C(C)C1
InChIInChI=1S/C11H22S/c1-4-5-10-6-7-11(12-3)9(2)8-10/h9-11H,4-8H2,1-3H3
InChIKeyOONBAOUUYLBSQG-UHFFFAOYSA-N
XLogP3.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.36
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-methylsulfanyl-4-propylcyclohexane?
The IUPAC name of 2-methyl-1-methylsulfanyl-4-propylcyclohexane (CID 23394361) is 2-methyl-1-methylsulfanyl-4-propylcyclohexane.
What is the SMILES notation for 2-methyl-1-methylsulfanyl-4-propylcyclohexane?
The canonical SMILES for 2-methyl-1-methylsulfanyl-4-propylcyclohexane is CCCC1CCC(SC)C(C)C1.
What is the InChIKey of 2-methyl-1-methylsulfanyl-4-propylcyclohexane?
The InChIKey is OONBAOUUYLBSQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22S/c1-4-5-10-6-7-11(12-3)9(2)8-10/h9-11H,4-8H2,1-3H3.
What are the key properties of 2-methyl-1-methylsulfanyl-4-propylcyclohexane?
2-methyl-1-methylsulfanyl-4-propylcyclohexane has a molecular weight of 186.36 g/mol, XLogP of 3.95, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-methylsulfanyl-4-propylcyclohexane is sourced from PubChem (CID 23394361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).