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

C13H22O3S — CID 176604282

IUPAC2-[1-(cyclohexylidenemethoxy)ethyl]thiolane 1,1-dioxide
SMILESCC(OC=C1CCCCC1)C1CCCS1(=O)=O
InChIInChI=1S/C13H22O3S/c1-11(13-8-5-9-17(13,14)15)16-10-12-6-3-2-4-7-12/h10-11,13H,2-9H2,1H3
InChIKeyKWDPGXGWCFUFFI-UHFFFAOYSA-N
MW258.38 g/mol
LogP2.82
Rot. Bonds3

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

2-[1-(cyclohexylidenemethoxy)ethyl]thiolane 1,1-dioxide (PubChem CID 176604282) has the molecular formula C13H22O3S and a molecular weight of 258.38 g/mol. Its IUPAC name is 2-[1-(cyclohexylidenemethoxy)ethyl]thiolane 1,1-dioxide.

Molecular Properties

Compound Name2-[1-(cyclohexylidenemethoxy)ethyl]thiolane 1,1-dioxide
PubChem CID176604282
Molecular FormulaC13H22O3S
Molecular Weight258.38 g/mol
Exact Mass258.13
IUPAC Name2-[1-(cyclohexylidenemethoxy)ethyl]thiolane 1,1-dioxide
SMILESCC(OC=C1CCCCC1)C1CCCS1(=O)=O
InChIInChI=1S/C13H22O3S/c1-11(13-8-5-9-17(13,14)15)16-10-12-6-3-2-4-7-12/h10-11,13H,2-9H2,1H3
InChIKeyKWDPGXGWCFUFFI-UHFFFAOYSA-N
XLogP2.82
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
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'}

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Related Compounds

1-Methylidene-4-(2-methylsulfonylethoxy)cyclohexane
CID 91288542
1-Butoxy-4-methylidene-2-methylsulfonylcyclohexane
CID 91313885
3-(Cyclohexylidenemethoxymethyl)-3-ethylthiolane 1,1-dioxide
CID 176602925
2-[1-(Cyclohexylidenemethoxy)ethyl]thiane 1-oxide
CID 176602954
3-[2-(Cyclohexylidenemethoxy)ethyl]-3-methylthiolane 1,1-dioxide
CID 176602963
2-[1-(2-Methylprop-1-enoxy)ethyl]thiolane 1,1-dioxide
CID 176602972
2-[1-(Cyclohexylidenemethoxy)ethyl]thiane 1,1-dioxide
CID 176603009
2-[1-(Cyclohexylidenemethoxy)ethyl]thiolane
CID 176603034
3-[3-(Cyclohexylidenemethoxy)propyl]-3-ethylthiolane 1,1-dioxide
CID 176603077
3-[1-(Cyclopentylidenemethoxy)ethyl]thiane 1,1-dioxide
CID 176603111
2-[1-(Cyclopentylidenemethoxy)ethyl]thiolane 1-oxide
CID 176603159
3-[1-(Cyclohexylidenemethoxy)ethyl]thiolane 1-oxide
CID 176603178

Frequently Asked Questions

What is the IUPAC name of 2-[1-(cyclohexylidenemethoxy)ethyl]thiolane 1,1-dioxide?
The IUPAC name of 2-[1-(cyclohexylidenemethoxy)ethyl]thiolane 1,1-dioxide (CID 176604282) is 2-[1-(cyclohexylidenemethoxy)ethyl]thiolane 1,1-dioxide.
What is the SMILES notation for 2-[1-(cyclohexylidenemethoxy)ethyl]thiolane 1,1-dioxide?
The canonical SMILES for 2-[1-(cyclohexylidenemethoxy)ethyl]thiolane 1,1-dioxide is CC(OC=C1CCCCC1)C1CCCS1(=O)=O.
What is the InChIKey of 2-[1-(cyclohexylidenemethoxy)ethyl]thiolane 1,1-dioxide?
The InChIKey is KWDPGXGWCFUFFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O3S/c1-11(13-8-5-9-17(13,14)15)16-10-12-6-3-2-4-7-12/h10-11,13H,2-9H2,1H3.
What are the key properties of 2-[1-(cyclohexylidenemethoxy)ethyl]thiolane 1,1-dioxide?
2-[1-(cyclohexylidenemethoxy)ethyl]thiolane 1,1-dioxide has a molecular weight of 258.38 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cyclohexylidenemethoxy)ethyl]thiolane 1,1-dioxide is sourced from PubChem (CID 176604282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).