3-(cyclohexylidenemethoxymethyl)-3-ethylthiolane

C14H24OS — CID 176603399

IUPAC3-(cyclohexylidenemethoxymethyl)-3-ethylthiolane
SMILESCCC1(COC=C2CCCCC2)CCSC1
InChIInChI=1S/C14H24OS/c1-2-14(8-9-16-12-14)11-15-10-13-6-4-3-5-7-13/h10H,2-9,11-12H2,1H3
InChIKeyMTFDJUXPPQROLI-UHFFFAOYSA-N
MW240.41 g/mol
LogP4.38
Rot. Bonds4

About 3-(cyclohexylidenemethoxymethyl)-3-ethylthiolane

3-(cyclohexylidenemethoxymethyl)-3-ethylthiolane (PubChem CID 176603399) has the molecular formula C14H24OS and a molecular weight of 240.41 g/mol. Its IUPAC name is 3-(cyclohexylidenemethoxymethyl)-3-ethylthiolane.

Molecular Properties

Compound Name3-(cyclohexylidenemethoxymethyl)-3-ethylthiolane
PubChem CID176603399
Molecular FormulaC14H24OS
Molecular Weight240.41 g/mol
Exact Mass240.15
IUPAC Name3-(cyclohexylidenemethoxymethyl)-3-ethylthiolane
SMILESCCC1(COC=C2CCCCC2)CCSC1
InChIInChI=1S/C14H24OS/c1-2-14(8-9-16-12-14)11-15-10-13-6-4-3-5-7-13/h10H,2-9,11-12H2,1H3
InChIKeyMTFDJUXPPQROLI-UHFFFAOYSA-N
XLogP4.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.41
LogP ≤ 54.38
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
3-(Cyclohexylidenemethoxymethyl)-3-ethylthiolane 1,1-dioxide
CID 176602925
2-[2-(Cyclohexylidenemethoxy)ethyl]-2-methylthiolane
CID 176602956
3-[2-(Cyclohexylidenemethoxy)ethyl]-3-methylthiolane 1,1-dioxide
CID 176602963
2-[1-(Cyclohexylidenemethoxy)ethyl]thiolane
CID 176603034
4-[2-(Cyclohexylidenemethoxy)ethyl]-4-methylthiane
CID 176603064
3-[2-(Cyclohexylidenemethoxy)ethyl]thiolane
CID 176603151
4-[3-(Cyclopentylidenemethoxy)propyl]-4-ethylthiane
CID 176603158
3-[3-(Cyclohexylidenemethoxy)propyl]-3-ethylthiolane
CID 176603177
3-[2-(Cyclohexylidenemethoxy)ethyl]-3-methylthiolane 1-oxide
CID 176603216
3-[3-(Cyclopentylidenemethoxy)propyl]-3-ethylthiolane
CID 176603717
2-(Cyclohexylidenemethoxymethyl)-2-ethylthiolane 1-oxide
CID 176603765

Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexylidenemethoxymethyl)-3-ethylthiolane?
The IUPAC name of 3-(cyclohexylidenemethoxymethyl)-3-ethylthiolane (CID 176603399) is 3-(cyclohexylidenemethoxymethyl)-3-ethylthiolane.
What is the SMILES notation for 3-(cyclohexylidenemethoxymethyl)-3-ethylthiolane?
The canonical SMILES for 3-(cyclohexylidenemethoxymethyl)-3-ethylthiolane is CCC1(COC=C2CCCCC2)CCSC1.
What is the InChIKey of 3-(cyclohexylidenemethoxymethyl)-3-ethylthiolane?
The InChIKey is MTFDJUXPPQROLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24OS/c1-2-14(8-9-16-12-14)11-15-10-13-6-4-3-5-7-13/h10H,2-9,11-12H2,1H3.
What are the key properties of 3-(cyclohexylidenemethoxymethyl)-3-ethylthiolane?
3-(cyclohexylidenemethoxymethyl)-3-ethylthiolane has a molecular weight of 240.41 g/mol, XLogP of 4.38, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexylidenemethoxymethyl)-3-ethylthiolane is sourced from PubChem (CID 176603399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).