4-(cyclohexylidenemethoxymethyl)thiane 1-oxide

C13H22O2S — CID 176603988

IUPAC4-(cyclohexylidenemethoxymethyl)thiane 1-oxide
SMILESO=S1CCC(COC=C2CCCCC2)CC1
InChIInChI=1S/C13H22O2S/c14-16-8-6-13(7-9-16)11-15-10-12-4-2-1-3-5-12/h10,13H,1-9,11H2
InChIKeyDBODUWKUTVIEJR-UHFFFAOYSA-N
MW242.38 g/mol
LogP3.01
Rot. Bonds3

About 4-(cyclohexylidenemethoxymethyl)thiane 1-oxide

4-(cyclohexylidenemethoxymethyl)thiane 1-oxide (PubChem CID 176603988) has the molecular formula C13H22O2S and a molecular weight of 242.38 g/mol. Its IUPAC name is 4-(cyclohexylidenemethoxymethyl)thiane 1-oxide.

Molecular Properties

Compound Name4-(cyclohexylidenemethoxymethyl)thiane 1-oxide
PubChem CID176603988
Molecular FormulaC13H22O2S
Molecular Weight242.38 g/mol
Exact Mass242.13
IUPAC Name4-(cyclohexylidenemethoxymethyl)thiane 1-oxide
SMILESO=S1CCC(COC=C2CCCCC2)CC1
InChIInChI=1S/C13H22O2S/c14-16-8-6-13(7-9-16)11-15-10-12-4-2-1-3-5-12/h10,13H,1-9,11H2
InChIKeyDBODUWKUTVIEJR-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

4-(Cyclohexylidenemethoxymethyl)-4-methylthiane 1,1-dioxide
CID 176602986
2-(Cyclohexylidenemethoxymethyl)-2-ethylthiane 1,1-dioxide
CID 176603023
4-[3-(Cyclohexylidenemethoxy)propyl]-4-ethylthiane 1-oxide
CID 176603053
4-[1-(Cyclohexylidenemethoxy)ethyl]thiane 1-oxide
CID 176603063
3-(Cyclohexylidenemethoxymethyl)-3-methylthiane 1-oxide
CID 176603125
4-(Cyclopentylidenemethoxymethyl)thiane 1,1-dioxide
CID 176603172
3-[1-(Cyclohexylidenemethoxy)ethyl]thiolane 1-oxide
CID 176603178
2-[2-(Cyclohexylidenemethoxy)ethyl]-2-methyl-1,4-dithiane 1,4-dioxide
CID 176603185
4-(2-Methylprop-1-enoxymethyl)thiane 1-oxide
CID 176603252
2-(Cyclohexylidenemethoxymethyl)-2-methyl-1,4-dithiane 1,4-dioxide
CID 176603305
4-(Cyclohexylidenemethoxymethyl)-4-ethylthiane 1,1-dioxide
CID 176603353
2-(Cyclohexylidenemethoxymethyl)-1,4-dithiane 1,4-dioxide
CID 176603415

Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylidenemethoxymethyl)thiane 1-oxide?
The IUPAC name of 4-(cyclohexylidenemethoxymethyl)thiane 1-oxide (CID 176603988) is 4-(cyclohexylidenemethoxymethyl)thiane 1-oxide.
What is the SMILES notation for 4-(cyclohexylidenemethoxymethyl)thiane 1-oxide?
The canonical SMILES for 4-(cyclohexylidenemethoxymethyl)thiane 1-oxide is O=S1CCC(COC=C2CCCCC2)CC1.
What is the InChIKey of 4-(cyclohexylidenemethoxymethyl)thiane 1-oxide?
The InChIKey is DBODUWKUTVIEJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O2S/c14-16-8-6-13(7-9-16)11-15-10-12-4-2-1-3-5-12/h10,13H,1-9,11H2.
What are the key properties of 4-(cyclohexylidenemethoxymethyl)thiane 1-oxide?
4-(cyclohexylidenemethoxymethyl)thiane 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 4-(cyclohexylidenemethoxymethyl)thiane 1-oxide is sourced from PubChem (CID 176603988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).