2-(cyclohexylidenemethoxymethyl)-2-ethyl-1,4-dithiane

C14H24OS2 — CID 176604193

IUPAC2-(cyclohexylidenemethoxymethyl)-2-ethyl-1,4-dithiane
SMILESCCC1(COC=C2CCCCC2)CSCCS1
InChIInChI=1S/C14H24OS2/c1-2-14(12-16-8-9-17-14)11-15-10-13-6-4-3-5-7-13/h10H,2-9,11-12H2,1H3
InChIKeyJRRBEUOMRBPXOY-UHFFFAOYSA-N
MW272.48 g/mol
LogP4.48
Rot. Bonds4

About 2-(cyclohexylidenemethoxymethyl)-2-ethyl-1,4-dithiane

2-(cyclohexylidenemethoxymethyl)-2-ethyl-1,4-dithiane (PubChem CID 176604193) has the molecular formula C14H24OS2 and a molecular weight of 272.48 g/mol. Its IUPAC name is 2-(cyclohexylidenemethoxymethyl)-2-ethyl-1,4-dithiane.

Molecular Properties

Compound Name2-(cyclohexylidenemethoxymethyl)-2-ethyl-1,4-dithiane
PubChem CID176604193
Molecular FormulaC14H24OS2
Molecular Weight272.48 g/mol
Exact Mass272.13
IUPAC Name2-(cyclohexylidenemethoxymethyl)-2-ethyl-1,4-dithiane
SMILESCCC1(COC=C2CCCCC2)CSCCS1
InChIInChI=1S/C14H24OS2/c1-2-14(12-16-8-9-17-14)11-15-10-13-6-4-3-5-7-13/h10H,2-9,11-12H2,1H3
InChIKeyJRRBEUOMRBPXOY-UHFFFAOYSA-N
XLogP4.48
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.48
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze 2-(cyclohexylidenemethoxymethyl)-2-ethyl-1,4-dithiane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4Z)-4-(methoxymethylidene)-2-methylthiane
CID 90036675
4-(Methoxymethylidene)-2-methylthiane
CID 90036676
2-(Cyclopentylidenemethoxymethyl)-2-methyl-1,4-dithiane
CID 176602957
4-[2-(Cyclohexylidenemethoxy)ethyl]-4-methylthiane
CID 176603064
2-[2-(Cyclohexylidenemethoxy)ethyl]-1,4-dithiane
CID 176603107
2-[2-(Cyclohexylidenemethoxy)ethyl]-2-methyl-1,4-dithiane 1,4-dioxide
CID 176603185
2-[3-(Cyclohexylidenemethoxy)propyl]-1,4-dithiane
CID 176603296
2-(Cyclohexylidenemethoxymethyl)-2-methyl-1,4-dithiane 1,4-dioxide
CID 176603305
2-(Cyclopentylidenemethoxymethyl)-2-ethyl-1,4-dithiane
CID 176603376
2-[2-(Cyclopentylidenemethoxy)ethyl]-2-methyl-1,4-dithiane
CID 176603396
2-(Cyclohexylidenemethoxymethyl)-1,4-dithiane 1,4-dioxide
CID 176603415
2-[2-(Cyclohexylidenemethoxy)ethyl]-2-methylthiirane
CID 176603466

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylidenemethoxymethyl)-2-ethyl-1,4-dithiane?
The IUPAC name of 2-(cyclohexylidenemethoxymethyl)-2-ethyl-1,4-dithiane (CID 176604193) is 2-(cyclohexylidenemethoxymethyl)-2-ethyl-1,4-dithiane.
What is the SMILES notation for 2-(cyclohexylidenemethoxymethyl)-2-ethyl-1,4-dithiane?
The canonical SMILES for 2-(cyclohexylidenemethoxymethyl)-2-ethyl-1,4-dithiane is CCC1(COC=C2CCCCC2)CSCCS1.
What is the InChIKey of 2-(cyclohexylidenemethoxymethyl)-2-ethyl-1,4-dithiane?
The InChIKey is JRRBEUOMRBPXOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24OS2/c1-2-14(12-16-8-9-17-14)11-15-10-13-6-4-3-5-7-13/h10H,2-9,11-12H2,1H3.
What are the key properties of 2-(cyclohexylidenemethoxymethyl)-2-ethyl-1,4-dithiane?
2-(cyclohexylidenemethoxymethyl)-2-ethyl-1,4-dithiane has a molecular weight of 272.48 g/mol, XLogP of 4.48, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylidenemethoxymethyl)-2-ethyl-1,4-dithiane is sourced from PubChem (CID 176604193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).