3-[1-(cyclohexylidenemethoxy)ethyl]thietane 1-oxide

C12H20O2S — CID 176604147

IUPAC3-[1-(cyclohexylidenemethoxy)ethyl]thietane 1-oxide
SMILESCC(OC=C1CCCCC1)C1CS(=O)C1
InChIInChI=1S/C12H20O2S/c1-10(12-8-15(13)9-12)14-7-11-5-3-2-4-6-11/h7,10,12H,2-6,8-9H2,1H3
InChIKeyWWGZEEFNOSMLNU-UHFFFAOYSA-N
MW228.36 g/mol
LogP2.62
Rot. Bonds3

About 3-[1-(cyclohexylidenemethoxy)ethyl]thietane 1-oxide

3-[1-(cyclohexylidenemethoxy)ethyl]thietane 1-oxide (PubChem CID 176604147) has the molecular formula C12H20O2S and a molecular weight of 228.36 g/mol. Its IUPAC name is 3-[1-(cyclohexylidenemethoxy)ethyl]thietane 1-oxide.

Molecular Properties

Compound Name3-[1-(cyclohexylidenemethoxy)ethyl]thietane 1-oxide
PubChem CID176604147
Molecular FormulaC12H20O2S
Molecular Weight228.36 g/mol
Exact Mass228.12
IUPAC Name3-[1-(cyclohexylidenemethoxy)ethyl]thietane 1-oxide
SMILESCC(OC=C1CCCCC1)C1CS(=O)C1
InChIInChI=1S/C12H20O2S/c1-10(12-8-15(13)9-12)14-7-11-5-3-2-4-6-11/h7,10,12H,2-6,8-9H2,1H3
InChIKeyWWGZEEFNOSMLNU-UHFFFAOYSA-N
XLogP2.62
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 ≤ 52.62
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

4-[1-(Cyclohexylidenemethoxy)ethyl]thiane 1-oxide
CID 176603063
3-[1-(Cyclohexylidenemethoxy)ethyl]thietane
CID 176603095
3-[1-(Cyclopentylidenemethoxy)ethyl]thietane 1-oxide
CID 176603124
3-[1-(Cyclohexylidenemethoxy)ethyl]thiolane 1-oxide
CID 176603178
3-(Cyclohexylidenemethoxymethyl)-3-ethylthietane 1-oxide
CID 176603571
3-(Cyclohexylidenemethoxymethyl)thietane 1,1-dioxide
CID 176603718
3-[1-(Cyclohexylidenemethoxy)ethyl]thietane 1,1-dioxide
CID 176603769
2-[1-(Cyclohexylidenemethoxy)ethyl]thiirane 1,1-dioxide
CID 176603784
3-[2-(Cyclohexylidenemethoxy)ethyl]thietane 1,1-dioxide
CID 176604024
3-[1-(2-Methylprop-1-enoxy)ethyl]thietane 1-oxide
CID 176604057
3-(Cyclohexylidenemethoxymethyl)-3-methylthietane 1,1-dioxide
CID 176604159
3-(Cyclohexylidenemethoxymethyl)-3-methylthietane 1-oxide
CID 176604215

Frequently Asked Questions

What is the IUPAC name of 3-[1-(cyclohexylidenemethoxy)ethyl]thietane 1-oxide?
The IUPAC name of 3-[1-(cyclohexylidenemethoxy)ethyl]thietane 1-oxide (CID 176604147) is 3-[1-(cyclohexylidenemethoxy)ethyl]thietane 1-oxide.
What is the SMILES notation for 3-[1-(cyclohexylidenemethoxy)ethyl]thietane 1-oxide?
The canonical SMILES for 3-[1-(cyclohexylidenemethoxy)ethyl]thietane 1-oxide is CC(OC=C1CCCCC1)C1CS(=O)C1.
What is the InChIKey of 3-[1-(cyclohexylidenemethoxy)ethyl]thietane 1-oxide?
The InChIKey is WWGZEEFNOSMLNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2S/c1-10(12-8-15(13)9-12)14-7-11-5-3-2-4-6-11/h7,10,12H,2-6,8-9H2,1H3.
What are the key properties of 3-[1-(cyclohexylidenemethoxy)ethyl]thietane 1-oxide?
3-[1-(cyclohexylidenemethoxy)ethyl]thietane 1-oxide has a molecular weight of 228.36 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(cyclohexylidenemethoxy)ethyl]thietane 1-oxide is sourced from PubChem (CID 176604147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).