2-[2-(cyclohexylidenemethoxy)ethyl]thiolane 1-oxide

C13H22O2S — CID 176603406

IUPAC2-[2-(cyclohexylidenemethoxy)ethyl]thiolane 1-oxide
SMILESO=S1CCCC1CCOC=C1CCCCC1
InChIInChI=1S/C13H22O2S/c14-16-10-4-7-13(16)8-9-15-11-12-5-2-1-3-6-12/h11,13H,1-10H2
InChIKeyGNBFOZFDAMNDRF-UHFFFAOYSA-N
MW242.38 g/mol
LogP3.15
Rot. Bonds4

About 2-[2-(cyclohexylidenemethoxy)ethyl]thiolane 1-oxide

2-[2-(cyclohexylidenemethoxy)ethyl]thiolane 1-oxide (PubChem CID 176603406) has the molecular formula C13H22O2S and a molecular weight of 242.38 g/mol. Its IUPAC name is 2-[2-(cyclohexylidenemethoxy)ethyl]thiolane 1-oxide.

Molecular Properties

Compound Name2-[2-(cyclohexylidenemethoxy)ethyl]thiolane 1-oxide
PubChem CID176603406
Molecular FormulaC13H22O2S
Molecular Weight242.38 g/mol
Exact Mass242.13
IUPAC Name2-[2-(cyclohexylidenemethoxy)ethyl]thiolane 1-oxide
SMILESO=S1CCCC1CCOC=C1CCCCC1
InChIInChI=1S/C13H22O2S/c14-16-10-4-7-13(16)8-9-15-11-12-5-2-1-3-6-12/h11,13H,1-10H2
InChIKeyGNBFOZFDAMNDRF-UHFFFAOYSA-N
XLogP3.15
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.38
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

2-[1-(Cyclohexylidenemethoxy)ethyl]thiane 1-oxide
CID 176602954
3-[2-(Cyclohexylidenemethoxy)ethyl]-3-methylthiolane 1,1-dioxide
CID 176602963
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-(Cyclohexylidenemethoxy)ethyl]-2-methylthiolane 1-oxide
CID 176603289
2-(Cyclohexylidenemethoxymethyl)thiocane 1-oxide
CID 176603347
2-[2-(Cyclohexylidenemethoxy)ethyl]thiane 1,1-dioxide
CID 176603442
2-(Cyclohexylidenemethoxymethyl)thiolane 1-oxide
CID 176603473
2-[3-(Cyclohexylidenemethoxy)propyl]thiocane 1-oxide
CID 176603478
2-[2-(Cyclopentylidenemethoxy)ethyl]thiane 1-oxide
CID 176603483
4-[3-(Cyclopentylidenemethoxy)propyl]thiane 1-oxide
CID 176603523

Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclohexylidenemethoxy)ethyl]thiolane 1-oxide?
The IUPAC name of 2-[2-(cyclohexylidenemethoxy)ethyl]thiolane 1-oxide (CID 176603406) is 2-[2-(cyclohexylidenemethoxy)ethyl]thiolane 1-oxide.
What is the SMILES notation for 2-[2-(cyclohexylidenemethoxy)ethyl]thiolane 1-oxide?
The canonical SMILES for 2-[2-(cyclohexylidenemethoxy)ethyl]thiolane 1-oxide is O=S1CCCC1CCOC=C1CCCCC1.
What is the InChIKey of 2-[2-(cyclohexylidenemethoxy)ethyl]thiolane 1-oxide?
The InChIKey is GNBFOZFDAMNDRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O2S/c14-16-10-4-7-13(16)8-9-15-11-12-5-2-1-3-6-12/h11,13H,1-10H2.
What are the key properties of 2-[2-(cyclohexylidenemethoxy)ethyl]thiolane 1-oxide?
2-[2-(cyclohexylidenemethoxy)ethyl]thiolane 1-oxide has a molecular weight of 242.38 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclohexylidenemethoxy)ethyl]thiolane 1-oxide is sourced from PubChem (CID 176603406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).