3-[1-(cyclohexylidenemethoxy)ethyl]thietane

C12H20OS — CID 176603095

IUPAC3-[1-(cyclohexylidenemethoxy)ethyl]thietane
SMILESCC(OC=C1CCCCC1)C1CSC1
InChIInChI=1S/C12H20OS/c1-10(12-8-14-9-12)13-7-11-5-3-2-4-6-11/h7,10,12H,2-6,8-9H2,1H3
InChIKeyZBQDXQZWXZBAMG-UHFFFAOYSA-N
MW212.36 g/mol
LogP3.60
Rot. Bonds3

About 3-[1-(cyclohexylidenemethoxy)ethyl]thietane

3-[1-(cyclohexylidenemethoxy)ethyl]thietane (PubChem CID 176603095) has the molecular formula C12H20OS and a molecular weight of 212.36 g/mol. Its IUPAC name is 3-[1-(cyclohexylidenemethoxy)ethyl]thietane.

Molecular Properties

Compound Name3-[1-(cyclohexylidenemethoxy)ethyl]thietane
PubChem CID176603095
Molecular FormulaC12H20OS
Molecular Weight212.36 g/mol
Exact Mass212.12
IUPAC Name3-[1-(cyclohexylidenemethoxy)ethyl]thietane
SMILESCC(OC=C1CCCCC1)C1CSC1
InChIInChI=1S/C12H20OS/c1-10(12-8-14-9-12)13-7-11-5-3-2-4-6-11/h7,10,12H,2-6,8-9H2,1H3
InChIKeyZBQDXQZWXZBAMG-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]thietane
CID 176603362
3-[1-(Cyclopentylidenemethoxy)ethyl]thietane
CID 176603599
4-[1-(Cyclohexylidenemethoxy)ethyl]thiane
CID 176603618
3-[2-(Cyclohexylidenemethoxy)ethyl]thietane
CID 176603629
3-[1-(Cyclohexylidenemethoxy)ethyl]thietane 1,1-dioxide
CID 176603769
3-[2-(Cyclohexylidenemethoxy)ethyl]-3-methylthietane
CID 176604102
3-[1-(Cyclohexylidenemethoxy)ethyl]thietane 1-oxide
CID 176604147
2-[1-(Cyclohexylidenemethoxy)ethyl]thiirane
CID 176604874
3-(Cyclohexylidenemethoxymethyl)thietane
CID 176605094
3-[1-(Cyclohexylidenemethoxy)ethyl]thiolane
CID 176605234
3-(Cyclohexylidenemethoxymethyl)-3-ethylthietane
CID 176605272
3-(Cyclohexylidenemethoxymethyl)-3-methylthietane
CID 176605423

Frequently Asked Questions

What is the IUPAC name of 3-[1-(cyclohexylidenemethoxy)ethyl]thietane?
The IUPAC name of 3-[1-(cyclohexylidenemethoxy)ethyl]thietane (CID 176603095) is 3-[1-(cyclohexylidenemethoxy)ethyl]thietane.
What is the SMILES notation for 3-[1-(cyclohexylidenemethoxy)ethyl]thietane?
The canonical SMILES for 3-[1-(cyclohexylidenemethoxy)ethyl]thietane is CC(OC=C1CCCCC1)C1CSC1.
What is the InChIKey of 3-[1-(cyclohexylidenemethoxy)ethyl]thietane?
The InChIKey is ZBQDXQZWXZBAMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20OS/c1-10(12-8-14-9-12)13-7-11-5-3-2-4-6-11/h7,10,12H,2-6,8-9H2,1H3.
What are the key properties of 3-[1-(cyclohexylidenemethoxy)ethyl]thietane?
3-[1-(cyclohexylidenemethoxy)ethyl]thietane 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-[1-(cyclohexylidenemethoxy)ethyl]thietane is sourced from PubChem (CID 176603095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).