3-(cyclohexylidenemethoxymethyl)thietane

C11H18OS — CID 176605094

IUPAC3-(cyclohexylidenemethoxymethyl)thietane
SMILESC(OCC1CSC1)=C1CCCCC1
InChIInChI=1S/C11H18OS/c1-2-4-10(5-3-1)6-12-7-11-8-13-9-11/h6,11H,1-5,7-9H2
InChIKeyACSWVCIWEHMLMA-UHFFFAOYSA-N
MW198.33 g/mol
LogP3.21
Rot. Bonds3

About 3-(cyclohexylidenemethoxymethyl)thietane

3-(cyclohexylidenemethoxymethyl)thietane (PubChem CID 176605094) has the molecular formula C11H18OS and a molecular weight of 198.33 g/mol. Its IUPAC name is 3-(cyclohexylidenemethoxymethyl)thietane.

Molecular Properties

Compound Name3-(cyclohexylidenemethoxymethyl)thietane
PubChem CID176605094
Molecular FormulaC11H18OS
Molecular Weight198.33 g/mol
Exact Mass198.11
IUPAC Name3-(cyclohexylidenemethoxymethyl)thietane
SMILESC(OCC1CSC1)=C1CCCCC1
InChIInChI=1S/C11H18OS/c1-2-4-10(5-3-1)6-12-7-11-8-13-9-11/h6,11H,1-5,7-9H2
InChIKeyACSWVCIWEHMLMA-UHFFFAOYSA-N
XLogP3.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.33
LogP ≤ 53.21
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-[1-(Cyclohexylidenemethoxy)ethyl]thietane
CID 176603095
3-[3-(Cyclohexylidenemethoxy)propyl]thietane
CID 176603362
2-[2-(Cyclohexylidenemethoxy)ethyl]thiirane
CID 176603366
3-[2-(Cyclohexylidenemethoxy)ethyl]thietane
CID 176603629
3-(Cyclohexylidenemethoxymethyl)thietane 1,1-dioxide
CID 176603718
3-(Cyclopentylidenemethoxymethyl)thietane
CID 176603861
3-[2-(Cyclohexylidenemethoxy)ethyl]-3-methylthietane
CID 176604102
3-(Cyclohexylidenemethoxymethyl)-3-methylthietane 1-oxide
CID 176604215
3-(Cyclohexylidenemethoxymethyl)thietane 1-oxide
CID 176604241
3-(Cyclohexylidenemethoxymethyl)thiolane
CID 176604326
3-[2-(Cyclohexylidenemethoxy)ethyl]thietane 1-oxide
CID 176604423
3-(Cyclohexylidenemethoxymethyl)-3-ethylthietane
CID 176605272

Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexylidenemethoxymethyl)thietane?
The IUPAC name of 3-(cyclohexylidenemethoxymethyl)thietane (CID 176605094) is 3-(cyclohexylidenemethoxymethyl)thietane.
What is the SMILES notation for 3-(cyclohexylidenemethoxymethyl)thietane?
The canonical SMILES for 3-(cyclohexylidenemethoxymethyl)thietane is C(OCC1CSC1)=C1CCCCC1.
What is the InChIKey of 3-(cyclohexylidenemethoxymethyl)thietane?
The InChIKey is ACSWVCIWEHMLMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18OS/c1-2-4-10(5-3-1)6-12-7-11-8-13-9-11/h6,11H,1-5,7-9H2.
What are the key properties of 3-(cyclohexylidenemethoxymethyl)thietane?
3-(cyclohexylidenemethoxymethyl)thietane has a molecular weight of 198.33 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexylidenemethoxymethyl)thietane is sourced from PubChem (CID 176605094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).