2-methyl-1-(2-methyl-1-propylcyclohexyl)sulfanyl-1-propylcyclohexane

C20H38S — CID 141375882

IUPAC2-methyl-1-(2-methyl-1-propylcyclohexyl)sulfanyl-1-propylcyclohexane
SMILESCCCC1(SC2(CCC)CCCCC2C)CCCCC1C
InChIInChI=1S/C20H38S/c1-5-13-19(15-9-7-11-17(19)3)21-20(14-6-2)16-10-8-12-18(20)4/h17-18H,5-16H2,1-4H3
InChIKeyFNTJLEOSLYPGBS-UHFFFAOYSA-N
MW310.59 g/mol
LogP7.22
Rot. Bonds6

About 2-methyl-1-(2-methyl-1-propylcyclohexyl)sulfanyl-1-propylcyclohexane

2-methyl-1-(2-methyl-1-propylcyclohexyl)sulfanyl-1-propylcyclohexane (PubChem CID 141375882) has the molecular formula C20H38S and a molecular weight of 310.59 g/mol. Its IUPAC name is 2-methyl-1-(2-methyl-1-propylcyclohexyl)sulfanyl-1-propylcyclohexane.

Molecular Properties

Compound Name2-methyl-1-(2-methyl-1-propylcyclohexyl)sulfanyl-1-propylcyclohexane
PubChem CID141375882
Molecular FormulaC20H38S
Molecular Weight310.59 g/mol
Exact Mass310.27
IUPAC Name2-methyl-1-(2-methyl-1-propylcyclohexyl)sulfanyl-1-propylcyclohexane
SMILESCCCC1(SC2(CCC)CCCCC2C)CCCCC1C
InChIInChI=1S/C20H38S/c1-5-13-19(15-9-7-11-17(19)3)21-20(14-6-2)16-10-8-12-18(20)4/h17-18H,5-16H2,1-4H3
InChIKeyFNTJLEOSLYPGBS-UHFFFAOYSA-N
XLogP7.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.59
LogP ≤ 57.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-methyl-1-propylcyclohexyl)sulfanyl-1-propylcyclohexane?
The IUPAC name of 2-methyl-1-(2-methyl-1-propylcyclohexyl)sulfanyl-1-propylcyclohexane (CID 141375882) is 2-methyl-1-(2-methyl-1-propylcyclohexyl)sulfanyl-1-propylcyclohexane.
What is the SMILES notation for 2-methyl-1-(2-methyl-1-propylcyclohexyl)sulfanyl-1-propylcyclohexane?
The canonical SMILES for 2-methyl-1-(2-methyl-1-propylcyclohexyl)sulfanyl-1-propylcyclohexane is CCCC1(SC2(CCC)CCCCC2C)CCCCC1C.
What is the InChIKey of 2-methyl-1-(2-methyl-1-propylcyclohexyl)sulfanyl-1-propylcyclohexane?
The InChIKey is FNTJLEOSLYPGBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38S/c1-5-13-19(15-9-7-11-17(19)3)21-20(14-6-2)16-10-8-12-18(20)4/h17-18H,5-16H2,1-4H3.
What are the key properties of 2-methyl-1-(2-methyl-1-propylcyclohexyl)sulfanyl-1-propylcyclohexane?
2-methyl-1-(2-methyl-1-propylcyclohexyl)sulfanyl-1-propylcyclohexane has a molecular weight of 310.59 g/mol, XLogP of 7.22, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-methyl-1-propylcyclohexyl)sulfanyl-1-propylcyclohexane is sourced from PubChem (CID 141375882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).