3-(cyclohexylidenemethoxymethyl)thietane 1,1-dioxide

C11H18O3S — CID 176603718

IUPAC3-(cyclohexylidenemethoxymethyl)thietane 1,1-dioxide
SMILESO=S1(=O)CC(COC=C2CCCCC2)C1
InChIInChI=1S/C11H18O3S/c12-15(13)8-11(9-15)7-14-6-10-4-2-1-3-5-10/h6,11H,1-5,7-9H2
InChIKeyJGJMTRMHCYZCAN-UHFFFAOYSA-N
MW230.33 g/mol
LogP1.90
Rot. Bonds3

About 3-(cyclohexylidenemethoxymethyl)thietane 1,1-dioxide

3-(cyclohexylidenemethoxymethyl)thietane 1,1-dioxide (PubChem CID 176603718) has the molecular formula C11H18O3S and a molecular weight of 230.33 g/mol. Its IUPAC name is 3-(cyclohexylidenemethoxymethyl)thietane 1,1-dioxide.

Molecular Properties

Compound Name3-(cyclohexylidenemethoxymethyl)thietane 1,1-dioxide
PubChem CID176603718
Molecular FormulaC11H18O3S
Molecular Weight230.33 g/mol
Exact Mass230.10
IUPAC Name3-(cyclohexylidenemethoxymethyl)thietane 1,1-dioxide
SMILESO=S1(=O)CC(COC=C2CCCCC2)C1
InChIInChI=1S/C11H18O3S/c12-15(13)8-11(9-15)7-14-6-10-4-2-1-3-5-10/h6,11H,1-5,7-9H2
InChIKeyJGJMTRMHCYZCAN-UHFFFAOYSA-N
XLogP1.90
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 ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(Cyclopentylidenemethoxymethyl)thietane 1,1-dioxide
CID 176603060
2-(Cyclohexylidenemethoxymethyl)thiirane 1,1-dioxide
CID 176603265
2-(Cyclohexylidenemethoxymethyl)-2-methylthiirane 1,1-dioxide
CID 176603476
2-[3-(Cyclohexylidenemethoxy)propyl]thiirane 1,1-dioxide
CID 176603496
3-[1-(Cyclohexylidenemethoxy)ethyl]thietane 1,1-dioxide
CID 176603769
3-[2-(Cyclohexylidenemethoxy)ethyl]thietane 1,1-dioxide
CID 176604024
3-[1-(Cyclohexylidenemethoxy)ethyl]thietane 1-oxide
CID 176604147
3-(Cyclohexylidenemethoxymethyl)-3-methylthietane 1,1-dioxide
CID 176604159
3-(Cyclohexylidenemethoxymethyl)-3-methylthietane 1-oxide
CID 176604215
2-[2-(Cyclohexylidenemethoxy)ethyl]thiirane 1,1-dioxide
CID 176604220
3-(Cyclohexylidenemethoxymethyl)thietane 1-oxide
CID 176604241
3-[2-(Cyclohexylidenemethoxy)ethyl]thietane 1-oxide
CID 176604423

Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexylidenemethoxymethyl)thietane 1,1-dioxide?
The IUPAC name of 3-(cyclohexylidenemethoxymethyl)thietane 1,1-dioxide (CID 176603718) is 3-(cyclohexylidenemethoxymethyl)thietane 1,1-dioxide.
What is the SMILES notation for 3-(cyclohexylidenemethoxymethyl)thietane 1,1-dioxide?
The canonical SMILES for 3-(cyclohexylidenemethoxymethyl)thietane 1,1-dioxide is O=S1(=O)CC(COC=C2CCCCC2)C1.
What is the InChIKey of 3-(cyclohexylidenemethoxymethyl)thietane 1,1-dioxide?
The InChIKey is JGJMTRMHCYZCAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O3S/c12-15(13)8-11(9-15)7-14-6-10-4-2-1-3-5-10/h6,11H,1-5,7-9H2.
What are the key properties of 3-(cyclohexylidenemethoxymethyl)thietane 1,1-dioxide?
3-(cyclohexylidenemethoxymethyl)thietane 1,1-dioxide has a molecular weight of 230.33 g/mol, XLogP of 1.90, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexylidenemethoxymethyl)thietane 1,1-dioxide is sourced from PubChem (CID 176603718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).