2-(cyclohexylidenemethoxymethyl)-2-methylthiirane 1,1-dioxide

C11H18O3S — CID 176603476

IUPAC2-(cyclohexylidenemethoxymethyl)-2-methylthiirane 1,1-dioxide
SMILESCC1(COC=C2CCCCC2)CS1(=O)=O
InChIInChI=1S/C11H18O3S/c1-11(9-15(11,12)13)8-14-7-10-5-3-2-4-6-10/h7H,2-6,8-9H2,1H3
InChIKeyRWLDYBZZFICAIG-UHFFFAOYSA-N
MW230.33 g/mol
LogP2.04
Rot. Bonds3

About 2-(cyclohexylidenemethoxymethyl)-2-methylthiirane 1,1-dioxide

2-(cyclohexylidenemethoxymethyl)-2-methylthiirane 1,1-dioxide (PubChem CID 176603476) has the molecular formula C11H18O3S and a molecular weight of 230.33 g/mol. Its IUPAC name is 2-(cyclohexylidenemethoxymethyl)-2-methylthiirane 1,1-dioxide.

Molecular Properties

Compound Name2-(cyclohexylidenemethoxymethyl)-2-methylthiirane 1,1-dioxide
PubChem CID176603476
Molecular FormulaC11H18O3S
Molecular Weight230.33 g/mol
Exact Mass230.10
IUPAC Name2-(cyclohexylidenemethoxymethyl)-2-methylthiirane 1,1-dioxide
SMILESCC1(COC=C2CCCCC2)CS1(=O)=O
InChIInChI=1S/C11H18O3S/c1-11(9-15(11,12)13)8-14-7-10-5-3-2-4-6-10/h7H,2-6,8-9H2,1H3
InChIKeyRWLDYBZZFICAIG-UHFFFAOYSA-N
XLogP2.04
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.33
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylidenemethoxymethyl)-2-methylthiirane 1,1-dioxide?
The IUPAC name of 2-(cyclohexylidenemethoxymethyl)-2-methylthiirane 1,1-dioxide (CID 176603476) is 2-(cyclohexylidenemethoxymethyl)-2-methylthiirane 1,1-dioxide.
What is the SMILES notation for 2-(cyclohexylidenemethoxymethyl)-2-methylthiirane 1,1-dioxide?
The canonical SMILES for 2-(cyclohexylidenemethoxymethyl)-2-methylthiirane 1,1-dioxide is CC1(COC=C2CCCCC2)CS1(=O)=O.
What is the InChIKey of 2-(cyclohexylidenemethoxymethyl)-2-methylthiirane 1,1-dioxide?
The InChIKey is RWLDYBZZFICAIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O3S/c1-11(9-15(11,12)13)8-14-7-10-5-3-2-4-6-10/h7H,2-6,8-9H2,1H3.
What are the key properties of 2-(cyclohexylidenemethoxymethyl)-2-methylthiirane 1,1-dioxide?
2-(cyclohexylidenemethoxymethyl)-2-methylthiirane 1,1-dioxide has a molecular weight of 230.33 g/mol, XLogP of 2.04, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylidenemethoxymethyl)-2-methylthiirane 1,1-dioxide is sourced from PubChem (CID 176603476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).