1-cyclohexylsulfanylcyclohexene

C12H20S — CID 86176969

IUPAC1-cyclohexylsulfanylcyclohexene
SMILESC1=C(SC2CCCCC2)CCCC1
InChIInChI=1S/C12H20S/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h7,12H,1-6,8-10H2
InChIKeyMCYKCLQCVIBOME-UHFFFAOYSA-N
MW196.36 g/mol
LogP4.51
Rot. Bonds2

About 1-cyclohexylsulfanylcyclohexene

1-cyclohexylsulfanylcyclohexene (PubChem CID 86176969) has the molecular formula C12H20S and a molecular weight of 196.36 g/mol. Its IUPAC name is 1-cyclohexylsulfanylcyclohexene.

Molecular Properties

Compound Name1-cyclohexylsulfanylcyclohexene
PubChem CID86176969
Molecular FormulaC12H20S
Molecular Weight196.36 g/mol
Exact Mass196.13
IUPAC Name1-cyclohexylsulfanylcyclohexene
SMILESC1=C(SC2CCCCC2)CCCC1
InChIInChI=1S/C12H20S/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h7,12H,1-6,8-10H2
InChIKeyMCYKCLQCVIBOME-UHFFFAOYSA-N
XLogP4.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.36
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexylsulfanylcyclohexene?
The IUPAC name of 1-cyclohexylsulfanylcyclohexene (CID 86176969) is 1-cyclohexylsulfanylcyclohexene.
What is the SMILES notation for 1-cyclohexylsulfanylcyclohexene?
The canonical SMILES for 1-cyclohexylsulfanylcyclohexene is C1=C(SC2CCCCC2)CCCC1.
What is the InChIKey of 1-cyclohexylsulfanylcyclohexene?
The InChIKey is MCYKCLQCVIBOME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20S/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h7,12H,1-6,8-10H2.
What are the key properties of 1-cyclohexylsulfanylcyclohexene?
1-cyclohexylsulfanylcyclohexene has a molecular weight of 196.36 g/mol, XLogP of 4.51, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexylsulfanylcyclohexene is sourced from PubChem (CID 86176969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).