1-methylidene-2-(methylsulfinylmethyl)cyclohexane

C9H16OS — CID 15525559

IUPAC1-methylidene-2-(methylsulfinylmethyl)cyclohexane
SMILESC=C1CCCCC1CS(C)=O
InChIInChI=1S/C9H16OS/c1-8-5-3-4-6-9(8)7-11(2)10/h9H,1,3-7H2,2H3
InChIKeyDMZLFDDDYAGFFR-UHFFFAOYSA-N
MW172.29 g/mol
LogP2.11
Rot. Bonds2

About 1-methylidene-2-(methylsulfinylmethyl)cyclohexane

1-methylidene-2-(methylsulfinylmethyl)cyclohexane (PubChem CID 15525559) has the molecular formula C9H16OS and a molecular weight of 172.29 g/mol. Its IUPAC name is 1-methylidene-2-(methylsulfinylmethyl)cyclohexane.

Molecular Properties

Compound Name1-methylidene-2-(methylsulfinylmethyl)cyclohexane
PubChem CID15525559
Molecular FormulaC9H16OS
Molecular Weight172.29 g/mol
Exact Mass172.09
IUPAC Name1-methylidene-2-(methylsulfinylmethyl)cyclohexane
SMILESC=C1CCCCC1CS(C)=O
InChIInChI=1S/C9H16OS/c1-8-5-3-4-6-9(8)7-11(2)10/h9H,1,3-7H2,2H3
InChIKeyDMZLFDDDYAGFFR-UHFFFAOYSA-N
XLogP2.11
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.29
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-Pentylsulfanylethenylcyclohexane
CID 58150596
1-Methylsulfanylethenylcyclohexane
CID 85970191
1-Methylidene-2-[methylsulfanyl(methylsulfinyl)methyl]cyclohexane
CID 12592984
3-Ethyl-2-propyl-2,3-dihydrothiophene 1-oxide
CID 53933044
(3S,4R,5R)-1,3,4-trimethyl-5-methylsulfinylcyclohexene
CID 59954466
(3S,4R,5S)-1,4,5-trimethyl-3-methylsulfinylcyclohexene
CID 59954468
3-Cyclohexyl-4-methylthiophene 1-oxide
CID 69092815
(4S)-2-butylsulfinyl-4-ethyl-3-methylideneoct-1-ene
CID 89281869
1-Methylidene-3-methylsulfinylcyclohexane
CID 90693062
1-Methyl-4-methylidene-2-methylsulfanylcyclohexane
CID 90695468
2-Ethyl-4-methylidene-1-methylsulfanylcyclohexane
CID 90701630
2-Methyl-4-methylidene-1-methylsulfonylcyclohexane
CID 90841950

Frequently Asked Questions

What is the IUPAC name of 1-methylidene-2-(methylsulfinylmethyl)cyclohexane?
The IUPAC name of 1-methylidene-2-(methylsulfinylmethyl)cyclohexane (CID 15525559) is 1-methylidene-2-(methylsulfinylmethyl)cyclohexane.
What is the SMILES notation for 1-methylidene-2-(methylsulfinylmethyl)cyclohexane?
The canonical SMILES for 1-methylidene-2-(methylsulfinylmethyl)cyclohexane is C=C1CCCCC1CS(C)=O.
What is the InChIKey of 1-methylidene-2-(methylsulfinylmethyl)cyclohexane?
The InChIKey is DMZLFDDDYAGFFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16OS/c1-8-5-3-4-6-9(8)7-11(2)10/h9H,1,3-7H2,2H3.
What are the key properties of 1-methylidene-2-(methylsulfinylmethyl)cyclohexane?
1-methylidene-2-(methylsulfinylmethyl)cyclohexane has a molecular weight of 172.29 g/mol, XLogP of 2.11, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylidene-2-(methylsulfinylmethyl)cyclohexane is sourced from PubChem (CID 15525559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).