1-methylidene-4-(2-methylsulfanylethoxy)cyclohexane

C10H18OS — CID 91474475

IUPAC1-methylidene-4-(2-methylsulfanylethoxy)cyclohexane
SMILESC=C1CCC(OCCSC)CC1
InChIInChI=1S/C10H18OS/c1-9-3-5-10(6-4-9)11-7-8-12-2/h10H,1,3-8H2,2H3
InChIKeyVLFCFRRGCKAKPZ-UHFFFAOYSA-N
MW186.32 g/mol
LogP2.86
Rot. Bonds4

About 1-methylidene-4-(2-methylsulfanylethoxy)cyclohexane

1-methylidene-4-(2-methylsulfanylethoxy)cyclohexane (PubChem CID 91474475) has the molecular formula C10H18OS and a molecular weight of 186.32 g/mol. Its IUPAC name is 1-methylidene-4-(2-methylsulfanylethoxy)cyclohexane.

Molecular Properties

Compound Name1-methylidene-4-(2-methylsulfanylethoxy)cyclohexane
PubChem CID91474475
Molecular FormulaC10H18OS
Molecular Weight186.32 g/mol
Exact Mass186.11
IUPAC Name1-methylidene-4-(2-methylsulfanylethoxy)cyclohexane
SMILESC=C1CCC(OCCSC)CC1
InChIInChI=1S/C10H18OS/c1-9-3-5-10(6-4-9)11-7-8-12-2/h10H,1,3-8H2,2H3
InChIKeyVLFCFRRGCKAKPZ-UHFFFAOYSA-N
XLogP2.86
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.32
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Methoxy-1-methylidene-4-methylsulfanylcyclohexane
CID 90733120
1-Methylidene-4-(methylsulfanylmethoxy)cyclohexane
CID 91102634
2-(Cyclohexyloxymethyl)-2,3-dihydrothiophene
CID 91249774
1-Methylidene-4-(2-methylsulfonylethoxy)cyclohexane
CID 91288542
2-Methoxy-4-methylidene-1-methylsulfanylcyclohexane
CID 91385479
1-Methylidene-4-(2-methylsulfinylethoxy)cyclohexane
CID 91578092
(3R)-3-methyl-2-(3-methylbut-3-enyl)-1,4-oxathiane
CID 139518559

Frequently Asked Questions

What is the IUPAC name of 1-methylidene-4-(2-methylsulfanylethoxy)cyclohexane?
The IUPAC name of 1-methylidene-4-(2-methylsulfanylethoxy)cyclohexane (CID 91474475) is 1-methylidene-4-(2-methylsulfanylethoxy)cyclohexane.
What is the SMILES notation for 1-methylidene-4-(2-methylsulfanylethoxy)cyclohexane?
The canonical SMILES for 1-methylidene-4-(2-methylsulfanylethoxy)cyclohexane is C=C1CCC(OCCSC)CC1.
What is the InChIKey of 1-methylidene-4-(2-methylsulfanylethoxy)cyclohexane?
The InChIKey is VLFCFRRGCKAKPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18OS/c1-9-3-5-10(6-4-9)11-7-8-12-2/h10H,1,3-8H2,2H3.
What are the key properties of 1-methylidene-4-(2-methylsulfanylethoxy)cyclohexane?
1-methylidene-4-(2-methylsulfanylethoxy)cyclohexane has a molecular weight of 186.32 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylidene-4-(2-methylsulfanylethoxy)cyclohexane is sourced from PubChem (CID 91474475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).