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

C10H18O2S — CID 91578092

IUPAC1-methylidene-4-(2-methylsulfinylethoxy)cyclohexane
SMILESC=C1CCC(OCCS(C)=O)CC1
InChIInChI=1S/C10H18O2S/c1-9-3-5-10(6-4-9)12-7-8-13(2)11/h10H,1,3-8H2,2H3
InChIKeyCDNNCHYJPHLZFF-UHFFFAOYSA-N
MW202.32 g/mol
LogP1.88
Rot. Bonds4

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

1-methylidene-4-(2-methylsulfinylethoxy)cyclohexane (PubChem CID 91578092) has the molecular formula C10H18O2S and a molecular weight of 202.32 g/mol. Its IUPAC name is 1-methylidene-4-(2-methylsulfinylethoxy)cyclohexane.

Molecular Properties

Compound Name1-methylidene-4-(2-methylsulfinylethoxy)cyclohexane
PubChem CID91578092
Molecular FormulaC10H18O2S
Molecular Weight202.32 g/mol
Exact Mass202.10
IUPAC Name1-methylidene-4-(2-methylsulfinylethoxy)cyclohexane
SMILESC=C1CCC(OCCS(C)=O)CC1
InChIInChI=1S/C10H18O2S/c1-9-3-5-10(6-4-9)12-7-8-13(2)11/h10H,1,3-8H2,2H3
InChIKeyCDNNCHYJPHLZFF-UHFFFAOYSA-N
XLogP1.88
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.32
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-Methylidene-4-(methylsulfinylmethoxy)cyclohexane
CID 90692399
4-(3-Methylidenecyclohexyl)oxythiane 1,1-dioxide
CID 90912925
1-Methylidene-4-(methylsulfonylmethoxy)cyclohexane
CID 90932789
1-Methylidene-4-(2-methylsulfonylethoxy)cyclohexane
CID 91288542
1-Butoxy-4-methylidene-2-methylsulfonylcyclohexane
CID 91313885
1-Methylidene-4-(2-methylsulfanylethoxy)cyclohexane
CID 91474475
2-Methoxy-1-methylidene-4-methylsulfonylcyclohexane
CID 123382169
2-[1-(Cyclohexylidenemethoxy)ethyl]thiane 1-oxide
CID 176602954

Frequently Asked Questions

What is the IUPAC name of 1-methylidene-4-(2-methylsulfinylethoxy)cyclohexane?
The IUPAC name of 1-methylidene-4-(2-methylsulfinylethoxy)cyclohexane (CID 91578092) is 1-methylidene-4-(2-methylsulfinylethoxy)cyclohexane.
What is the SMILES notation for 1-methylidene-4-(2-methylsulfinylethoxy)cyclohexane?
The canonical SMILES for 1-methylidene-4-(2-methylsulfinylethoxy)cyclohexane is C=C1CCC(OCCS(C)=O)CC1.
What is the InChIKey of 1-methylidene-4-(2-methylsulfinylethoxy)cyclohexane?
The InChIKey is CDNNCHYJPHLZFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2S/c1-9-3-5-10(6-4-9)12-7-8-13(2)11/h10H,1,3-8H2,2H3.
What are the key properties of 1-methylidene-4-(2-methylsulfinylethoxy)cyclohexane?
1-methylidene-4-(2-methylsulfinylethoxy)cyclohexane has a molecular weight of 202.32 g/mol, XLogP of 1.88, 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-methylsulfinylethoxy)cyclohexane is sourced from PubChem (CID 91578092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).