3-(cyclohexylidenemethoxymethyl)thiolane

C12H20OS — CID 176604326

IUPAC3-(cyclohexylidenemethoxymethyl)thiolane
SMILESC(OCC1CCSC1)=C1CCCCC1
InChIInChI=1S/C12H20OS/c1-2-4-11(5-3-1)8-13-9-12-6-7-14-10-12/h8,12H,1-7,9-10H2
InChIKeyHYCAWNCYJBXWNV-UHFFFAOYSA-N
MW212.36 g/mol
LogP3.60
Rot. Bonds3

About 3-(cyclohexylidenemethoxymethyl)thiolane

3-(cyclohexylidenemethoxymethyl)thiolane (PubChem CID 176604326) has the molecular formula C12H20OS and a molecular weight of 212.36 g/mol. Its IUPAC name is 3-(cyclohexylidenemethoxymethyl)thiolane.

Molecular Properties

Compound Name3-(cyclohexylidenemethoxymethyl)thiolane
PubChem CID176604326
Molecular FormulaC12H20OS
Molecular Weight212.36 g/mol
Exact Mass212.12
IUPAC Name3-(cyclohexylidenemethoxymethyl)thiolane
SMILESC(OCC1CCSC1)=C1CCCCC1
InChIInChI=1S/C12H20OS/c1-2-4-11(5-3-1)8-13-9-12-6-7-14-10-12/h8,12H,1-7,9-10H2
InChIKeyHYCAWNCYJBXWNV-UHFFFAOYSA-N
XLogP3.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.36
LogP ≤ 53.60
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

3-[3-(Cyclohexylidenemethoxy)propyl]thiolane
CID 176602921
2-[2-(Cyclohexylidenemethoxy)ethyl]-2-methylthiolane
CID 176602956
2-[1-(Cyclohexylidenemethoxy)ethyl]thiolane
CID 176603034
2-[2-(Cyclohexylidenemethoxy)ethyl]-1,4-dithiane
CID 176603107
3-[2-(Cyclohexylidenemethoxy)ethyl]thiolane
CID 176603151
4-(Cyclopentylidenemethoxymethyl)thiane
CID 176603291
3-[3-(Cyclohexylidenemethoxy)propyl]thietane
CID 176603362
2-[2-(Cyclohexylidenemethoxy)ethyl]thiirane
CID 176603366
3-(Cyclohexylidenemethoxymethyl)-3-ethylthiolane
CID 176603399
2-[2-(Cyclohexylidenemethoxy)ethyl]-2-methylthiirane
CID 176603466
2-(Cyclohexylidenemethoxymethyl)thiolane 1-oxide
CID 176603473
4-[2-(Cyclopentylidenemethoxy)ethyl]thiane
CID 176603516

Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexylidenemethoxymethyl)thiolane?
The IUPAC name of 3-(cyclohexylidenemethoxymethyl)thiolane (CID 176604326) is 3-(cyclohexylidenemethoxymethyl)thiolane.
What is the SMILES notation for 3-(cyclohexylidenemethoxymethyl)thiolane?
The canonical SMILES for 3-(cyclohexylidenemethoxymethyl)thiolane is C(OCC1CCSC1)=C1CCCCC1.
What is the InChIKey of 3-(cyclohexylidenemethoxymethyl)thiolane?
The InChIKey is HYCAWNCYJBXWNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20OS/c1-2-4-11(5-3-1)8-13-9-12-6-7-14-10-12/h8,12H,1-7,9-10H2.
What are the key properties of 3-(cyclohexylidenemethoxymethyl)thiolane?
3-(cyclohexylidenemethoxymethyl)thiolane has a molecular weight of 212.36 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexylidenemethoxymethyl)thiolane is sourced from PubChem (CID 176604326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).