2-[2-(cyclohexylidenemethoxy)ethyl]thiane

C14H24OS — CID 176604041

IUPAC2-[2-(cyclohexylidenemethoxy)ethyl]thiane
SMILESC(OCCC1CCCCS1)=C1CCCCC1
InChIInChI=1S/C14H24OS/c1-2-6-13(7-3-1)12-15-10-9-14-8-4-5-11-16-14/h12,14H,1-11H2
InChIKeyXJKNQIZDHRDXGQ-UHFFFAOYSA-N
MW240.41 g/mol
LogP4.53
Rot. Bonds4

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

2-[2-(cyclohexylidenemethoxy)ethyl]thiane (PubChem CID 176604041) has the molecular formula C14H24OS and a molecular weight of 240.41 g/mol. Its IUPAC name is 2-[2-(cyclohexylidenemethoxy)ethyl]thiane.

Molecular Properties

Compound Name2-[2-(cyclohexylidenemethoxy)ethyl]thiane
PubChem CID176604041
Molecular FormulaC14H24OS
Molecular Weight240.41 g/mol
Exact Mass240.15
IUPAC Name2-[2-(cyclohexylidenemethoxy)ethyl]thiane
SMILESC(OCCC1CCCCS1)=C1CCCCC1
InChIInChI=1S/C14H24OS/c1-2-6-13(7-3-1)12-15-10-9-14-8-4-5-11-16-14/h12,14H,1-11H2
InChIKeyXJKNQIZDHRDXGQ-UHFFFAOYSA-N
XLogP4.53
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 ≤ 54.53
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

2-[1-(Cyclohexylidenemethoxy)ethyl]thiane 1-oxide
CID 176602954
2-[2-(Cyclohexylidenemethoxy)ethyl]-1,4-dithiane
CID 176603107
2-[3-(2-Methylprop-1-enoxy)propyl]thiane
CID 176603200
2-[3-(Cyclohexylidenemethoxy)propyl]thiocane
CID 176603242
2-[3-(Cyclohexylidenemethoxy)propyl]-1,4-dithiane
CID 176603296
2-[2-(Cyclohexylidenemethoxy)ethyl]thiane 1,1-dioxide
CID 176603442
3-[3-(Cyclohexylidenemethoxy)propyl]thiane 1-oxide
CID 176603457
2-[3-(Cyclohexylidenemethoxy)propyl]-2-ethylthiane
CID 176603603
2-[2-(Cyclohexylidenemethoxy)ethyl]thiane 1-oxide
CID 176603620
3-[3-(Cyclohexylidenemethoxy)propyl]thiane
CID 176603726
2-(Cyclohexylidenemethoxymethyl)thiane 1-oxide
CID 176603729
2-[2-(Cyclohexylidenemethoxy)ethyl]-2-methylthiane
CID 176603838

Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclohexylidenemethoxy)ethyl]thiane?
The IUPAC name of 2-[2-(cyclohexylidenemethoxy)ethyl]thiane (CID 176604041) is 2-[2-(cyclohexylidenemethoxy)ethyl]thiane.
What is the SMILES notation for 2-[2-(cyclohexylidenemethoxy)ethyl]thiane?
The canonical SMILES for 2-[2-(cyclohexylidenemethoxy)ethyl]thiane is C(OCCC1CCCCS1)=C1CCCCC1.
What is the InChIKey of 2-[2-(cyclohexylidenemethoxy)ethyl]thiane?
The InChIKey is XJKNQIZDHRDXGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24OS/c1-2-6-13(7-3-1)12-15-10-9-14-8-4-5-11-16-14/h12,14H,1-11H2.
What are the key properties of 2-[2-(cyclohexylidenemethoxy)ethyl]thiane?
2-[2-(cyclohexylidenemethoxy)ethyl]thiane has a molecular weight of 240.41 g/mol, XLogP of 4.53, 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]thiane is sourced from PubChem (CID 176604041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).