3-[2-(cyclohexylidenemethoxy)ethyl]thiane

C14H24OS — CID 176604385

IUPAC3-[2-(cyclohexylidenemethoxy)ethyl]thiane
SMILESC(OCCC1CCCSC1)=C1CCCCC1
InChIInChI=1S/C14H24OS/c1-2-5-13(6-3-1)11-15-9-8-14-7-4-10-16-12-14/h11,14H,1-10,12H2
InChIKeyDBNBMJBIQRMUFA-UHFFFAOYSA-N
MW240.41 g/mol
LogP4.38
Rot. Bonds4

About 3-[2-(cyclohexylidenemethoxy)ethyl]thiane

3-[2-(cyclohexylidenemethoxy)ethyl]thiane (PubChem CID 176604385) has the molecular formula C14H24OS and a molecular weight of 240.41 g/mol. Its IUPAC name is 3-[2-(cyclohexylidenemethoxy)ethyl]thiane.

Molecular Properties

Compound Name3-[2-(cyclohexylidenemethoxy)ethyl]thiane
PubChem CID176604385
Molecular FormulaC14H24OS
Molecular Weight240.41 g/mol
Exact Mass240.15
IUPAC Name3-[2-(cyclohexylidenemethoxy)ethyl]thiane
SMILESC(OCCC1CCCSC1)=C1CCCCC1
InChIInChI=1S/C14H24OS/c1-2-5-13(6-3-1)11-15-9-8-14-7-4-10-16-12-14/h11,14H,1-10,12H2
InChIKeyDBNBMJBIQRMUFA-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'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[3-(Cyclohexylidenemethoxy)propyl]thiolane
CID 176602921
2-[2-(Cyclohexylidenemethoxy)ethyl]-2-methylthiolane
CID 176602956
4-[2-(Cyclohexylidenemethoxy)ethyl]-4-methylthiane
CID 176603064
2-[2-(Cyclohexylidenemethoxy)ethyl]-1,4-dithiane
CID 176603107
3-[2-(Cyclohexylidenemethoxy)ethyl]thiolane
CID 176603151
3-[2-(2-Methylprop-1-enoxy)ethyl]thiane
CID 176603227
2-[3-(Cyclohexylidenemethoxy)propyl]-1,4-dithiane
CID 176603296
3-[3-(Cyclohexylidenemethoxy)propyl]thietane
CID 176603362
3-[3-(Cyclohexylidenemethoxy)propyl]thiane 1-oxide
CID 176603457
4-[2-(Cyclopentylidenemethoxy)ethyl]thiane
CID 176603516
4-[3-(Cyclopentylidenemethoxy)propyl]thiane 1-oxide
CID 176603523
4-[2-(Cyclohexylidenemethoxy)ethyl]thiane 1,1-dioxide
CID 176603543

Frequently Asked Questions

What is the IUPAC name of 3-[2-(cyclohexylidenemethoxy)ethyl]thiane?
The IUPAC name of 3-[2-(cyclohexylidenemethoxy)ethyl]thiane (CID 176604385) is 3-[2-(cyclohexylidenemethoxy)ethyl]thiane.
What is the SMILES notation for 3-[2-(cyclohexylidenemethoxy)ethyl]thiane?
The canonical SMILES for 3-[2-(cyclohexylidenemethoxy)ethyl]thiane is C(OCCC1CCCSC1)=C1CCCCC1.
What is the InChIKey of 3-[2-(cyclohexylidenemethoxy)ethyl]thiane?
The InChIKey is DBNBMJBIQRMUFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24OS/c1-2-5-13(6-3-1)11-15-9-8-14-7-4-10-16-12-14/h11,14H,1-10,12H2.
What are the key properties of 3-[2-(cyclohexylidenemethoxy)ethyl]thiane?
3-[2-(cyclohexylidenemethoxy)ethyl]thiane 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-[2-(cyclohexylidenemethoxy)ethyl]thiane is sourced from PubChem (CID 176604385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).