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

C13H22O2S — CID 176603178

IUPAC3-[1-(cyclohexylidenemethoxy)ethyl]thiolane 1-oxide
SMILESCC(OC=C1CCCCC1)C1CCS(=O)C1
InChIInChI=1S/C13H22O2S/c1-11(13-7-8-16(14)10-13)15-9-12-5-3-2-4-6-12/h9,11,13H,2-8,10H2,1H3
InChIKeySCCGGKGEJDICIM-UHFFFAOYSA-N
MW242.38 g/mol
LogP3.01
Rot. Bonds3

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

3-[1-(cyclohexylidenemethoxy)ethyl]thiolane 1-oxide (PubChem CID 176603178) has the molecular formula C13H22O2S and a molecular weight of 242.38 g/mol. Its IUPAC name is 3-[1-(cyclohexylidenemethoxy)ethyl]thiolane 1-oxide.

Molecular Properties

Compound Name3-[1-(cyclohexylidenemethoxy)ethyl]thiolane 1-oxide
PubChem CID176603178
Molecular FormulaC13H22O2S
Molecular Weight242.38 g/mol
Exact Mass242.13
IUPAC Name3-[1-(cyclohexylidenemethoxy)ethyl]thiolane 1-oxide
SMILESCC(OC=C1CCCCC1)C1CCS(=O)C1
InChIInChI=1S/C13H22O2S/c1-11(13-7-8-16(14)10-13)15-9-12-5-3-2-4-6-12/h9,11,13H,2-8,10H2,1H3
InChIKeySCCGGKGEJDICIM-UHFFFAOYSA-N
XLogP3.01
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.38
LogP ≤ 53.01
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
3-[1-(Cyclopentylidenemethoxy)ethyl]thiolane 1-oxide
CID 176603029
2-[1-(Cyclohexylidenemethoxy)ethyl]thiolane
CID 176603034
4-[1-(Cyclohexylidenemethoxy)ethyl]thiane 1-oxide
CID 176603063
3-[1-(Cyclopentylidenemethoxy)ethyl]thiane 1,1-dioxide
CID 176603111
3-[2-(Cyclohexylidenemethoxy)ethyl]thiolane
CID 176603151
2-[1-(Cyclopentylidenemethoxy)ethyl]thiolane 1-oxide
CID 176603159
3-[1-(2-Methylprop-1-enoxy)ethyl]thiolane 1,1-dioxide
CID 176603174
3-[2-(Cyclohexylidenemethoxy)ethyl]-3-methylthiolane 1-oxide
CID 176603216
2-[2-(Cyclohexylidenemethoxy)ethyl]-2-methylthiolane 1-oxide
CID 176603289
2-[2-(Cyclohexylidenemethoxy)ethyl]thiolane 1-oxide
CID 176603406

Frequently Asked Questions

What is the IUPAC name of 3-[1-(cyclohexylidenemethoxy)ethyl]thiolane 1-oxide?
The IUPAC name of 3-[1-(cyclohexylidenemethoxy)ethyl]thiolane 1-oxide (CID 176603178) is 3-[1-(cyclohexylidenemethoxy)ethyl]thiolane 1-oxide.
What is the SMILES notation for 3-[1-(cyclohexylidenemethoxy)ethyl]thiolane 1-oxide?
The canonical SMILES for 3-[1-(cyclohexylidenemethoxy)ethyl]thiolane 1-oxide is CC(OC=C1CCCCC1)C1CCS(=O)C1.
What is the InChIKey of 3-[1-(cyclohexylidenemethoxy)ethyl]thiolane 1-oxide?
The InChIKey is SCCGGKGEJDICIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O2S/c1-11(13-7-8-16(14)10-13)15-9-12-5-3-2-4-6-12/h9,11,13H,2-8,10H2,1H3.
What are the key properties of 3-[1-(cyclohexylidenemethoxy)ethyl]thiolane 1-oxide?
3-[1-(cyclohexylidenemethoxy)ethyl]thiolane 1-oxide has a molecular weight of 242.38 g/mol, XLogP of 3.01, 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]thiolane 1-oxide is sourced from PubChem (CID 176603178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).