1-methylidene-3-methylsulfinylcyclohexane

C8H14OS — CID 90693062

IUPAC1-methylidene-3-methylsulfinylcyclohexane
SMILESC=C1CCCC(S(C)=O)C1
InChIInChI=1S/C8H14OS/c1-7-4-3-5-8(6-7)10(2)9/h8H,1,3-6H2,2H3
InChIKeyLTHZEOWIRWJQTE-UHFFFAOYSA-N
MW158.27 g/mol
LogP1.86
Rot. Bonds1

About 1-methylidene-3-methylsulfinylcyclohexane

1-methylidene-3-methylsulfinylcyclohexane (PubChem CID 90693062) has the molecular formula C8H14OS and a molecular weight of 158.27 g/mol. Its IUPAC name is 1-methylidene-3-methylsulfinylcyclohexane.

Molecular Properties

Compound Name1-methylidene-3-methylsulfinylcyclohexane
PubChem CID90693062
Molecular FormulaC8H14OS
Molecular Weight158.27 g/mol
Exact Mass158.08
IUPAC Name1-methylidene-3-methylsulfinylcyclohexane
SMILESC=C1CCCC(S(C)=O)C1
InChIInChI=1S/C8H14OS/c1-7-4-3-5-8(6-7)10(2)9/h8H,1,3-6H2,2H3
InChIKeyLTHZEOWIRWJQTE-UHFFFAOYSA-N
XLogP1.86
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.27
LogP ≤ 51.86
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-Methylidene-2-methylsulfanylcyclohexane
CID 14529195
2-Fluoro-4-methylidene-1-methylsulfinylcyclohexane
CID 90806658
1-Methylidene-4-(trifluoromethylsulfinyl)cyclohexane
CID 90896547
2-Fluoro-4-methylidene-1-methylsulfonylcyclohexane
CID 91239833
1-Ethylsulfinyl-2-fluoro-4-methylidenecyclohexane
CID 91250858
1-Ethylsulfonyl-2-fluoro-4-methylidenecyclohexane
CID 91294477
1-(Fluoromethylsulfonyl)-4-methylidenecyclohexane
CID 91306454
1-(Fluoromethylsulfinyl)-4-methylidenecyclohexane
CID 91548703
4-Ethylsulfonyl-2-fluoro-1-methylidenecyclohexane
CID 123988801
(Z)-1-ethylsulfinyl-2-methylhex-1-ene
CID 12431652
(E)-1-ethylsulfinyl-2-methylhex-1-ene
CID 12431653
1-Methylsulfinylmethyl-2-methylenecyclohexane
CID 15525559

Frequently Asked Questions

What is the IUPAC name of 1-methylidene-3-methylsulfinylcyclohexane?
The IUPAC name of 1-methylidene-3-methylsulfinylcyclohexane (CID 90693062) is 1-methylidene-3-methylsulfinylcyclohexane.
What is the SMILES notation for 1-methylidene-3-methylsulfinylcyclohexane?
The canonical SMILES for 1-methylidene-3-methylsulfinylcyclohexane is C=C1CCCC(S(C)=O)C1.
What is the InChIKey of 1-methylidene-3-methylsulfinylcyclohexane?
The InChIKey is LTHZEOWIRWJQTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14OS/c1-7-4-3-5-8(6-7)10(2)9/h8H,1,3-6H2,2H3.
What are the key properties of 1-methylidene-3-methylsulfinylcyclohexane?
1-methylidene-3-methylsulfinylcyclohexane has a molecular weight of 158.27 g/mol, XLogP of 1.86, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylidene-3-methylsulfinylcyclohexane is sourced from PubChem (CID 90693062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).