3-[2-(cyclohexylidenemethoxy)ethyl]thiolane 1-oxide

C13H22O2S — CID 176603805

IUPAC3-[2-(cyclohexylidenemethoxy)ethyl]thiolane 1-oxide
SMILESO=S1CCC(CCOC=C2CCCCC2)C1
InChIInChI=1S/C13H22O2S/c14-16-9-7-13(11-16)6-8-15-10-12-4-2-1-3-5-12/h10,13H,1-9,11H2
InChIKeyXFEBXBHFTITZFM-UHFFFAOYSA-N
MW242.38 g/mol
LogP3.01
Rot. Bonds4

About 3-[2-(cyclohexylidenemethoxy)ethyl]thiolane 1-oxide

3-[2-(cyclohexylidenemethoxy)ethyl]thiolane 1-oxide (PubChem CID 176603805) has the molecular formula C13H22O2S and a molecular weight of 242.38 g/mol. Its IUPAC name is 3-[2-(cyclohexylidenemethoxy)ethyl]thiolane 1-oxide.

Molecular Properties

Compound Name3-[2-(cyclohexylidenemethoxy)ethyl]thiolane 1-oxide
PubChem CID176603805
Molecular FormulaC13H22O2S
Molecular Weight242.38 g/mol
Exact Mass242.13
IUPAC Name3-[2-(cyclohexylidenemethoxy)ethyl]thiolane 1-oxide
SMILESO=S1CCC(CCOC=C2CCCCC2)C1
InChIInChI=1S/C13H22O2S/c14-16-9-7-13(11-16)6-8-15-10-12-4-2-1-3-5-12/h10,13H,1-9,11H2
InChIKeyXFEBXBHFTITZFM-UHFFFAOYSA-N
XLogP3.01
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 ≤ 53.01
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

4-[3-(cyclohexylidenemethoxy)propyl]thiane 1-oxide
CID 176603867
3-[3-(cyclopentylidenemethoxy)propyl]thiane 1-oxide
CID 176605028
3-[3-(cyclopentylidenemethoxy)propyl]thiepane 1-oxide
CID 176604582
2-[2-(cyclopentylidenemethoxy)ethyl]-1,4-dithiane 1,4-dioxide
CID 176603245
3-[2-(cyclopentylidenemethoxy)ethyl]thietane
CID 176605101
2-[2-(cyclohexylidenemethoxy)ethyl]thiolane
CID 176604098
2-(cyclopentylidenemethoxymethyl)thiirane 1-oxide
CID 176603763
3-[2-[(Z)-2-phenylprop-1-enoxy]ethyl]thiolane 1-oxide
CID 176604214
3-[3-(cyclohexylidenemethoxy)propyl]thiolane 1,1-dioxide
CID 176604095
2-[2-(cyclopentylidenemethoxy)ethyl]-2-methylthiirane 1-oxide
CID 176605208
3-(cyclohexylidenemethoxymethyl)-3-methylthiane 1-oxide
CID 176603125
4-(cyclopentylidenemethoxymethyl)-4-methylthiane 1-oxide
CID 176605172

Frequently Asked Questions

What is the IUPAC name of 3-[2-(cyclohexylidenemethoxy)ethyl]thiolane 1-oxide?
The IUPAC name of 3-[2-(cyclohexylidenemethoxy)ethyl]thiolane 1-oxide (CID 176603805) is 3-[2-(cyclohexylidenemethoxy)ethyl]thiolane 1-oxide.
What is the SMILES notation for 3-[2-(cyclohexylidenemethoxy)ethyl]thiolane 1-oxide?
The canonical SMILES for 3-[2-(cyclohexylidenemethoxy)ethyl]thiolane 1-oxide is O=S1CCC(CCOC=C2CCCCC2)C1.
What is the InChIKey of 3-[2-(cyclohexylidenemethoxy)ethyl]thiolane 1-oxide?
The InChIKey is XFEBXBHFTITZFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O2S/c14-16-9-7-13(11-16)6-8-15-10-12-4-2-1-3-5-12/h10,13H,1-9,11H2.
What are the key properties of 3-[2-(cyclohexylidenemethoxy)ethyl]thiolane 1-oxide?
3-[2-(cyclohexylidenemethoxy)ethyl]thiolane 1-oxide has a molecular weight of 242.38 g/mol, XLogP of 3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(cyclohexylidenemethoxy)ethyl]thiolane 1-oxide is sourced from PubChem (CID 176603805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).