1-cyclohexylsulfanyl-2-methylcyclohexene

C13H22S — CID 134933290

IUPAC1-cyclohexylsulfanyl-2-methylcyclohexene
SMILESCC1=C(SC2CCCCC2)CCCC1
InChIInChI=1S/C13H22S/c1-11-7-5-6-10-13(11)14-12-8-3-2-4-9-12/h12H,2-10H2,1H3
InChIKeyORFDFDPDSCWYIF-UHFFFAOYSA-N
MW210.39 g/mol
LogP4.90
Rot. Bonds2

About 1-cyclohexylsulfanyl-2-methylcyclohexene

1-cyclohexylsulfanyl-2-methylcyclohexene (PubChem CID 134933290) has the molecular formula C13H22S and a molecular weight of 210.39 g/mol. Its IUPAC name is 1-cyclohexylsulfanyl-2-methylcyclohexene.

Molecular Properties

Compound Name1-cyclohexylsulfanyl-2-methylcyclohexene
PubChem CID134933290
Molecular FormulaC13H22S
Molecular Weight210.39 g/mol
Exact Mass210.14
IUPAC Name1-cyclohexylsulfanyl-2-methylcyclohexene
SMILESCC1=C(SC2CCCCC2)CCCC1
InChIInChI=1S/C13H22S/c1-11-7-5-6-10-13(11)14-12-8-3-2-4-9-12/h12H,2-10H2,1H3
InChIKeyORFDFDPDSCWYIF-UHFFFAOYSA-N
XLogP4.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.39
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-Methylsulfanylpropylidenecyclohexane
CID 12397148
4,5-Dimethyl-2-n-heptyl-3,6-dihydro-2h-thiapyran
CID 15130803
3-Hexyl-4-methyl-2,5-dihydrothiophene
CID 57702306
1,3,4,6-Tetrafluoro-5-hexylsulfanyl-2-methylcyclohexene
CID 147651616
InChI=1/C8H14S/c1-7-5-3-4-6-8(7)9-2/h3-6H2,1-2H
CID 5325879
4-(4-Cyclohexylidenecyclohexylidene)tetrahydro-4h-thiopyran
CID 10084084
2-Cyclohexylidenethiolane
CID 11789613
2,4,5-Trimethyl-3,6-dihydro-2H-thiopyran
CID 12792225
4,5-Dibutyl-2,3-dihydrothiophene
CID 121007950
5-Methyl-2-amyl-3,6-dihydro-2h-thiopyran
CID 129806050
(E)-5-methyl-6-propylsulfanyldec-5-ene
CID 132579850
(E)-5-ethyl-6-methylsulfanyldec-5-ene
CID 134862221

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexylsulfanyl-2-methylcyclohexene?
The IUPAC name of 1-cyclohexylsulfanyl-2-methylcyclohexene (CID 134933290) is 1-cyclohexylsulfanyl-2-methylcyclohexene.
What is the SMILES notation for 1-cyclohexylsulfanyl-2-methylcyclohexene?
The canonical SMILES for 1-cyclohexylsulfanyl-2-methylcyclohexene is CC1=C(SC2CCCCC2)CCCC1.
What is the InChIKey of 1-cyclohexylsulfanyl-2-methylcyclohexene?
The InChIKey is ORFDFDPDSCWYIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22S/c1-11-7-5-6-10-13(11)14-12-8-3-2-4-9-12/h12H,2-10H2,1H3.
What are the key properties of 1-cyclohexylsulfanyl-2-methylcyclohexene?
1-cyclohexylsulfanyl-2-methylcyclohexene has a molecular weight of 210.39 g/mol, XLogP of 4.90, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexylsulfanyl-2-methylcyclohexene is sourced from PubChem (CID 134933290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).