2-[2-(cyclohexylidenemethoxy)ethyl]thiolane 1,1-dioxide

C13H22O3S — CID 176603967

IUPAC2-[2-(cyclohexylidenemethoxy)ethyl]thiolane 1,1-dioxide
SMILESO=S1(=O)CCCC1CCOC=C1CCCCC1
InChIInChI=1S/C13H22O3S/c14-17(15)10-4-7-13(17)8-9-16-11-12-5-2-1-3-6-12/h11,13H,1-10H2
InChIKeyXCJQEYYEDHQOEL-UHFFFAOYSA-N
MW258.38 g/mol
LogP2.82
Rot. Bonds4

About 2-[2-(cyclohexylidenemethoxy)ethyl]thiolane 1,1-dioxide

2-[2-(cyclohexylidenemethoxy)ethyl]thiolane 1,1-dioxide (PubChem CID 176603967) has the molecular formula C13H22O3S and a molecular weight of 258.38 g/mol. Its IUPAC name is 2-[2-(cyclohexylidenemethoxy)ethyl]thiolane 1,1-dioxide.

Molecular Properties

Compound Name2-[2-(cyclohexylidenemethoxy)ethyl]thiolane 1,1-dioxide
PubChem CID176603967
Molecular FormulaC13H22O3S
Molecular Weight258.38 g/mol
Exact Mass258.13
IUPAC Name2-[2-(cyclohexylidenemethoxy)ethyl]thiolane 1,1-dioxide
SMILESO=S1(=O)CCCC1CCOC=C1CCCCC1
InChIInChI=1S/C13H22O3S/c14-17(15)10-4-7-13(17)8-9-16-11-12-5-2-1-3-6-12/h11,13H,1-10H2
InChIKeyXCJQEYYEDHQOEL-UHFFFAOYSA-N
XLogP2.82
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.38
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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]thiane 1,1-dioxide
CID 176603009
3-[3-(Cyclohexylidenemethoxy)propyl]-3-ethylthiolane 1,1-dioxide
CID 176603077
4-[3-(Cyclopentylidenemethoxy)propyl]thiane 1,1-dioxide
CID 176603112
3-[2-(Cyclohexylidenemethoxy)ethyl]-3-methylthiolane 1-oxide
CID 176603216
3-[3-(Cyclopentylidenemethoxy)propyl]thiolane 1,1-dioxide
CID 176603258
2-[2-(Cyclohexylidenemethoxy)ethyl]-2-methylthiolane 1-oxide
CID 176603289
3-[2-(Cyclopentylidenemethoxy)ethyl]thiane 1,1-dioxide
CID 176603294
2-[2-(Cyclohexylidenemethoxy)ethyl]thiolane 1-oxide
CID 176603406
2-[2-(Cyclohexylidenemethoxy)ethyl]thiane 1,1-dioxide
CID 176603442
2-(Cyclohexylidenemethoxymethyl)thiolane 1-oxide
CID 176603473

Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclohexylidenemethoxy)ethyl]thiolane 1,1-dioxide?
The IUPAC name of 2-[2-(cyclohexylidenemethoxy)ethyl]thiolane 1,1-dioxide (CID 176603967) is 2-[2-(cyclohexylidenemethoxy)ethyl]thiolane 1,1-dioxide.
What is the SMILES notation for 2-[2-(cyclohexylidenemethoxy)ethyl]thiolane 1,1-dioxide?
The canonical SMILES for 2-[2-(cyclohexylidenemethoxy)ethyl]thiolane 1,1-dioxide is O=S1(=O)CCCC1CCOC=C1CCCCC1.
What is the InChIKey of 2-[2-(cyclohexylidenemethoxy)ethyl]thiolane 1,1-dioxide?
The InChIKey is XCJQEYYEDHQOEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O3S/c14-17(15)10-4-7-13(17)8-9-16-11-12-5-2-1-3-6-12/h11,13H,1-10H2.
What are the key properties of 2-[2-(cyclohexylidenemethoxy)ethyl]thiolane 1,1-dioxide?
2-[2-(cyclohexylidenemethoxy)ethyl]thiolane 1,1-dioxide has a molecular weight of 258.38 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclohexylidenemethoxy)ethyl]thiolane 1,1-dioxide is sourced from PubChem (CID 176603967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).