2-(cyclohexylidenemethoxymethyl)thiolane 1-oxide

C12H20O2S — CID 176603473

IUPAC2-(cyclohexylidenemethoxymethyl)thiolane 1-oxide
SMILESO=S1CCCC1COC=C1CCCCC1
InChIInChI=1S/C12H20O2S/c13-15-8-4-7-12(15)10-14-9-11-5-2-1-3-6-11/h9,12H,1-8,10H2
InChIKeyPUCBGGPKLAGKCA-UHFFFAOYSA-N
MW228.36 g/mol
LogP2.76
Rot. Bonds3

About 2-(cyclohexylidenemethoxymethyl)thiolane 1-oxide

2-(cyclohexylidenemethoxymethyl)thiolane 1-oxide (PubChem CID 176603473) has the molecular formula C12H20O2S and a molecular weight of 228.36 g/mol. Its IUPAC name is 2-(cyclohexylidenemethoxymethyl)thiolane 1-oxide.

Molecular Properties

Compound Name2-(cyclohexylidenemethoxymethyl)thiolane 1-oxide
PubChem CID176603473
Molecular FormulaC12H20O2S
Molecular Weight228.36 g/mol
Exact Mass228.12
IUPAC Name2-(cyclohexylidenemethoxymethyl)thiolane 1-oxide
SMILESO=S1CCCC1COC=C1CCCCC1
InChIInChI=1S/C12H20O2S/c13-15-8-4-7-12(15)10-14-9-11-5-2-1-3-6-11/h9,12H,1-8,10H2
InChIKeyPUCBGGPKLAGKCA-UHFFFAOYSA-N
XLogP2.76
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(Cyclohexylidenemethoxymethyl)-3-ethylthiolane 1,1-dioxide
CID 176602925
3-[2-(Cyclohexylidenemethoxy)ethyl]-3-methylthiolane 1,1-dioxide
CID 176602963
2-[1-(Cyclohexylidenemethoxy)ethyl]thiolane
CID 176603034
3-[2-(Cyclohexylidenemethoxy)ethyl]thiolane
CID 176603151
2-[1-(Cyclopentylidenemethoxy)ethyl]thiolane 1-oxide
CID 176603159
3-[1-(Cyclohexylidenemethoxy)ethyl]thiolane 1-oxide
CID 176603178
3-[2-(Cyclohexylidenemethoxy)ethyl]-3-methylthiolane 1-oxide
CID 176603216
2-[2-(Cyclopentylidenemethoxy)ethyl]-1,4-dithiane 1,4-dioxide
CID 176603245
2-[2-(Cyclohexylidenemethoxy)ethyl]-2-methylthiolane 1-oxide
CID 176603289
2-(Cyclohexylidenemethoxymethyl)thiocane 1-oxide
CID 176603347
2-[2-(Cyclohexylidenemethoxy)ethyl]thiolane 1-oxide
CID 176603406
2-(Cyclohexylidenemethoxymethyl)-1,4-dithiane 1,4-dioxide
CID 176603415

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylidenemethoxymethyl)thiolane 1-oxide?
The IUPAC name of 2-(cyclohexylidenemethoxymethyl)thiolane 1-oxide (CID 176603473) is 2-(cyclohexylidenemethoxymethyl)thiolane 1-oxide.
What is the SMILES notation for 2-(cyclohexylidenemethoxymethyl)thiolane 1-oxide?
The canonical SMILES for 2-(cyclohexylidenemethoxymethyl)thiolane 1-oxide is O=S1CCCC1COC=C1CCCCC1.
What is the InChIKey of 2-(cyclohexylidenemethoxymethyl)thiolane 1-oxide?
The InChIKey is PUCBGGPKLAGKCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2S/c13-15-8-4-7-12(15)10-14-9-11-5-2-1-3-6-11/h9,12H,1-8,10H2.
What are the key properties of 2-(cyclohexylidenemethoxymethyl)thiolane 1-oxide?
2-(cyclohexylidenemethoxymethyl)thiolane 1-oxide has a molecular weight of 228.36 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylidenemethoxymethyl)thiolane 1-oxide is sourced from PubChem (CID 176603473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).