2-[2-(cyclohexylidenemethoxy)ethyl]thiolane

C13H22OS — CID 176604098

IUPAC2-[2-(cyclohexylidenemethoxy)ethyl]thiolane
SMILESC(OCCC1CCCS1)=C1CCCCC1
InChIInChI=1S/C13H22OS/c1-2-5-12(6-3-1)11-14-9-8-13-7-4-10-15-13/h11,13H,1-10H2
InChIKeyAUYNHFSMYZCRFZ-UHFFFAOYSA-N
MW226.38 g/mol
LogP4.14
Rot. Bonds4

About 2-[2-(cyclohexylidenemethoxy)ethyl]thiolane

2-[2-(cyclohexylidenemethoxy)ethyl]thiolane (PubChem CID 176604098) has the molecular formula C13H22OS and a molecular weight of 226.38 g/mol. Its IUPAC name is 2-[2-(cyclohexylidenemethoxy)ethyl]thiolane.

Molecular Properties

Compound Name2-[2-(cyclohexylidenemethoxy)ethyl]thiolane
PubChem CID176604098
Molecular FormulaC13H22OS
Molecular Weight226.38 g/mol
Exact Mass226.14
IUPAC Name2-[2-(cyclohexylidenemethoxy)ethyl]thiolane
SMILESC(OCCC1CCCS1)=C1CCCCC1
InChIInChI=1S/C13H22OS/c1-2-5-12(6-3-1)11-14-9-8-13-7-4-10-15-13/h11,13H,1-10H2
InChIKeyAUYNHFSMYZCRFZ-UHFFFAOYSA-N
XLogP4.14
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.38
LogP ≤ 54.14
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

3-[2-(cyclopentylidenemethoxy)ethyl]thietane
CID 176605101
3-[2-(cyclohexylidenemethoxy)ethyl]thiolane 1-oxide
CID 176603805
2-(thiolan-2-yl)ethanamine;hydrochloride
CID 53423396
2-[3-[(E)-prop-1-enoxy]propyl]thiolane
CID 176603325
4-[3-(cyclohexylidenemethoxy)propyl]thiane 1-oxide
CID 176603867
3-(thiolan-2-yl)propan-1-amine
CID 83479274
3-[3-(cyclopentylidenemethoxy)propyl]thiane 1-oxide
CID 176605028
3-[3-(cyclohexylidenemethoxy)propyl]thiolane 1,1-dioxide
CID 176604095
2-[2-(cyclopentylidenemethoxy)ethyl]-1,4-dithiane 1,4-dioxide
CID 176603245
2-[2-(cyclopentylidenemethoxy)ethyl]-2-methylthiolane
CID 176603352
2-[3-(cyclohexylidenemethoxy)propyl]-2-ethylthiirane
CID 176605301
2-[3-(cyclopentylidenemethoxy)propyl]-7-oxabicyclo[2.2.1]heptane
CID 176604134

Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclohexylidenemethoxy)ethyl]thiolane?
The IUPAC name of 2-[2-(cyclohexylidenemethoxy)ethyl]thiolane (CID 176604098) is 2-[2-(cyclohexylidenemethoxy)ethyl]thiolane.
What is the SMILES notation for 2-[2-(cyclohexylidenemethoxy)ethyl]thiolane?
The canonical SMILES for 2-[2-(cyclohexylidenemethoxy)ethyl]thiolane is C(OCCC1CCCS1)=C1CCCCC1.
What is the InChIKey of 2-[2-(cyclohexylidenemethoxy)ethyl]thiolane?
The InChIKey is AUYNHFSMYZCRFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22OS/c1-2-5-12(6-3-1)11-14-9-8-13-7-4-10-15-13/h11,13H,1-10H2.
What are the key properties of 2-[2-(cyclohexylidenemethoxy)ethyl]thiolane?
2-[2-(cyclohexylidenemethoxy)ethyl]thiolane has a molecular weight of 226.38 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclohexylidenemethoxy)ethyl]thiolane is sourced from PubChem (CID 176604098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).