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

C10H18O3S — CID 91288542

IUPAC1-methylidene-4-(2-methylsulfonylethoxy)cyclohexane
SMILESC=C1CCC(OCCS(C)(=O)=O)CC1
InChIInChI=1S/C10H18O3S/c1-9-3-5-10(6-4-9)13-7-8-14(2,11)12/h10H,1,3-8H2,2H3
InChIKeyZOWMDYBOLRYXEH-UHFFFAOYSA-N
MW218.32 g/mol
LogP1.55
Rot. Bonds4

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

1-methylidene-4-(2-methylsulfonylethoxy)cyclohexane (PubChem CID 91288542) has the molecular formula C10H18O3S and a molecular weight of 218.32 g/mol. Its IUPAC name is 1-methylidene-4-(2-methylsulfonylethoxy)cyclohexane.

Molecular Properties

Compound Name1-methylidene-4-(2-methylsulfonylethoxy)cyclohexane
PubChem CID91288542
Molecular FormulaC10H18O3S
Molecular Weight218.32 g/mol
Exact Mass218.10
IUPAC Name1-methylidene-4-(2-methylsulfonylethoxy)cyclohexane
SMILESC=C1CCC(OCCS(C)(=O)=O)CC1
InChIInChI=1S/C10H18O3S/c1-9-3-5-10(6-4-9)13-7-8-14(2,11)12/h10H,1,3-8H2,2H3
InChIKeyZOWMDYBOLRYXEH-UHFFFAOYSA-N
XLogP1.55
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-Methylidene-2-methylsulfonyl-1-(trifluoromethoxy)cyclohexane
CID 91025853
1-Methylidene-4-(methylsulfinylmethoxy)cyclohexane
CID 90692399
4-(3-Methylidenecyclohexyl)oxythiane 1,1-dioxide
CID 90912925
1-Methylidene-4-(methylsulfonylmethoxy)cyclohexane
CID 90932789
1-Butoxy-4-methylidene-2-methylsulfonylcyclohexane
CID 91313885
1-Methylidene-4-(2-methylsulfanylethoxy)cyclohexane
CID 91474475
1-Methylidene-4-(2-methylsulfinylethoxy)cyclohexane
CID 91578092
4-Ethylsulfonyl-2-methoxy-1-methylidenecyclohexane
CID 123142351
2-Methoxy-1-methylidene-4-methylsulfonylcyclohexane
CID 123382169
2-Methoxy-1-methylidene-4-propan-2-ylsulfonylcyclohexane
CID 123432423
2-[1-(Cyclohexylidenemethoxy)ethyl]thiane 1,1-dioxide
CID 176603009
2-[1-(Cyclohexylidenemethoxy)ethyl]thiolane 1,1-dioxide
CID 176604282

Frequently Asked Questions

What is the IUPAC name of 1-methylidene-4-(2-methylsulfonylethoxy)cyclohexane?
The IUPAC name of 1-methylidene-4-(2-methylsulfonylethoxy)cyclohexane (CID 91288542) is 1-methylidene-4-(2-methylsulfonylethoxy)cyclohexane.
What is the SMILES notation for 1-methylidene-4-(2-methylsulfonylethoxy)cyclohexane?
The canonical SMILES for 1-methylidene-4-(2-methylsulfonylethoxy)cyclohexane is C=C1CCC(OCCS(C)(=O)=O)CC1.
What is the InChIKey of 1-methylidene-4-(2-methylsulfonylethoxy)cyclohexane?
The InChIKey is ZOWMDYBOLRYXEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3S/c1-9-3-5-10(6-4-9)13-7-8-14(2,11)12/h10H,1,3-8H2,2H3.
What are the key properties of 1-methylidene-4-(2-methylsulfonylethoxy)cyclohexane?
1-methylidene-4-(2-methylsulfonylethoxy)cyclohexane has a molecular weight of 218.32 g/mol, XLogP of 1.55, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylidene-4-(2-methylsulfonylethoxy)cyclohexane is sourced from PubChem (CID 91288542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).