2-(cyclohexylidenemethoxymethyl)thiane

C13H22OS — CID 176604025

IUPAC2-(cyclohexylidenemethoxymethyl)thiane
SMILESC(OCC1CCCCS1)=C1CCCCC1
InChIInChI=1S/C13H22OS/c1-2-6-12(7-3-1)10-14-11-13-8-4-5-9-15-13/h10,13H,1-9,11H2
InChIKeyRJNLOFSMYRPPCF-UHFFFAOYSA-N
MW226.38 g/mol
LogP4.14
Rot. Bonds3

About 2-(cyclohexylidenemethoxymethyl)thiane

2-(cyclohexylidenemethoxymethyl)thiane (PubChem CID 176604025) has the molecular formula C13H22OS and a molecular weight of 226.38 g/mol. Its IUPAC name is 2-(cyclohexylidenemethoxymethyl)thiane.

Molecular Properties

Compound Name2-(cyclohexylidenemethoxymethyl)thiane
PubChem CID176604025
Molecular FormulaC13H22OS
Molecular Weight226.38 g/mol
Exact Mass226.14
IUPAC Name2-(cyclohexylidenemethoxymethyl)thiane
SMILESC(OCC1CCCCS1)=C1CCCCC1
InChIInChI=1S/C13H22OS/c1-2-6-12(7-3-1)10-14-11-13-8-4-5-9-15-13/h10,13H,1-9,11H2
InChIKeyRJNLOFSMYRPPCF-UHFFFAOYSA-N
XLogP4.14
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
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'}

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Related Compounds

2-Cyclohexylsulfanyl-3-methylideneoxane
CID 153747426
4-[2-(Cyclohexylidenemethoxy)ethyl]-4-methylthiane
CID 176603064
2-[2-(Cyclohexylidenemethoxy)ethyl]-1,4-dithiane
CID 176603107
2-[3-(Cyclohexylidenemethoxy)propyl]-1,4-dithiane
CID 176603296
2-[2-(Cyclohexylidenemethoxy)ethyl]thiirane
CID 176603366
2-[2-(Cyclohexylidenemethoxy)ethyl]thiane 1-oxide
CID 176603620
2-[1-(Cyclohexylidenemethoxy)ethyl]-1,4-dithiane
CID 176603658
3-[3-(Cyclohexylidenemethoxy)propyl]thiane
CID 176603726
2-(Cyclohexylidenemethoxymethyl)thiane 1-oxide
CID 176603729
2-(Cyclohexylidenemethoxymethyl)-2-methylthiane 1-oxide
CID 176603780
2-[2-(Cyclohexylidenemethoxy)ethyl]-2-methylthiane
CID 176603838
2-[2-(Cyclopentylidenemethoxy)ethyl]thiane
CID 176603927

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylidenemethoxymethyl)thiane?
The IUPAC name of 2-(cyclohexylidenemethoxymethyl)thiane (CID 176604025) is 2-(cyclohexylidenemethoxymethyl)thiane.
What is the SMILES notation for 2-(cyclohexylidenemethoxymethyl)thiane?
The canonical SMILES for 2-(cyclohexylidenemethoxymethyl)thiane is C(OCC1CCCCS1)=C1CCCCC1.
What is the InChIKey of 2-(cyclohexylidenemethoxymethyl)thiane?
The InChIKey is RJNLOFSMYRPPCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22OS/c1-2-6-12(7-3-1)10-14-11-13-8-4-5-9-15-13/h10,13H,1-9,11H2.
What are the key properties of 2-(cyclohexylidenemethoxymethyl)thiane?
2-(cyclohexylidenemethoxymethyl)thiane has a molecular weight of 226.38 g/mol, XLogP of 4.14, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylidenemethoxymethyl)thiane is sourced from PubChem (CID 176604025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).