1-methyl-2-[2-methyl-1,3-bis(methylsulfanyl)propyl]cyclohexane

C13H26S2 — CID 23432810

IUPAC1-methyl-2-[2-methyl-1,3-bis(methylsulfanyl)propyl]cyclohexane
SMILESCSCC(C)C(SC)C1CCCCC1C
InChIInChI=1S/C13H26S2/c1-10-7-5-6-8-12(10)13(15-4)11(2)9-14-3/h10-13H,5-9H2,1-4H3
InChIKeyTUVAKZBDLPZKKS-UHFFFAOYSA-N
MW246.48 g/mol
LogP4.54
Rot. Bonds5

About 1-methyl-2-[2-methyl-1,3-bis(methylsulfanyl)propyl]cyclohexane

1-methyl-2-[2-methyl-1,3-bis(methylsulfanyl)propyl]cyclohexane (PubChem CID 23432810) has the molecular formula C13H26S2 and a molecular weight of 246.48 g/mol. Its IUPAC name is 1-methyl-2-[2-methyl-1,3-bis(methylsulfanyl)propyl]cyclohexane.

Molecular Properties

Compound Name1-methyl-2-[2-methyl-1,3-bis(methylsulfanyl)propyl]cyclohexane
PubChem CID23432810
Molecular FormulaC13H26S2
Molecular Weight246.48 g/mol
Exact Mass246.15
IUPAC Name1-methyl-2-[2-methyl-1,3-bis(methylsulfanyl)propyl]cyclohexane
SMILESCSCC(C)C(SC)C1CCCCC1C
InChIInChI=1S/C13H26S2/c1-10-7-5-6-8-12(10)13(15-4)11(2)9-14-3/h10-13H,5-9H2,1-4H3
InChIKeyTUVAKZBDLPZKKS-UHFFFAOYSA-N
XLogP4.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.48
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[2-methyl-1,3-bis(methylsulfanyl)propyl]cyclohexane?
The IUPAC name of 1-methyl-2-[2-methyl-1,3-bis(methylsulfanyl)propyl]cyclohexane (CID 23432810) is 1-methyl-2-[2-methyl-1,3-bis(methylsulfanyl)propyl]cyclohexane.
What is the SMILES notation for 1-methyl-2-[2-methyl-1,3-bis(methylsulfanyl)propyl]cyclohexane?
The canonical SMILES for 1-methyl-2-[2-methyl-1,3-bis(methylsulfanyl)propyl]cyclohexane is CSCC(C)C(SC)C1CCCCC1C.
What is the InChIKey of 1-methyl-2-[2-methyl-1,3-bis(methylsulfanyl)propyl]cyclohexane?
The InChIKey is TUVAKZBDLPZKKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26S2/c1-10-7-5-6-8-12(10)13(15-4)11(2)9-14-3/h10-13H,5-9H2,1-4H3.
What are the key properties of 1-methyl-2-[2-methyl-1,3-bis(methylsulfanyl)propyl]cyclohexane?
1-methyl-2-[2-methyl-1,3-bis(methylsulfanyl)propyl]cyclohexane has a molecular weight of 246.48 g/mol, XLogP of 4.54, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[2-methyl-1,3-bis(methylsulfanyl)propyl]cyclohexane is sourced from PubChem (CID 23432810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).