2-[1-(cyclohexylidenemethoxy)ethyl]-1,4-dithiane

C13H22OS2 — CID 176603658

IUPAC2-[1-(cyclohexylidenemethoxy)ethyl]-1,4-dithiane
SMILESCC(OC=C1CCCCC1)C1CSCCS1
InChIInChI=1S/C13H22OS2/c1-11(13-10-15-7-8-16-13)14-9-12-5-3-2-4-6-12/h9,11,13H,2-8,10H2,1H3
InChIKeyRUDJVQRUXFDTKY-UHFFFAOYSA-N
MW258.45 g/mol
LogP4.09
Rot. Bonds3

About 2-[1-(cyclohexylidenemethoxy)ethyl]-1,4-dithiane

2-[1-(cyclohexylidenemethoxy)ethyl]-1,4-dithiane (PubChem CID 176603658) has the molecular formula C13H22OS2 and a molecular weight of 258.45 g/mol. Its IUPAC name is 2-[1-(cyclohexylidenemethoxy)ethyl]-1,4-dithiane.

Molecular Properties

Compound Name2-[1-(cyclohexylidenemethoxy)ethyl]-1,4-dithiane
PubChem CID176603658
Molecular FormulaC13H22OS2
Molecular Weight258.45 g/mol
Exact Mass258.11
IUPAC Name2-[1-(cyclohexylidenemethoxy)ethyl]-1,4-dithiane
SMILESCC(OC=C1CCCCC1)C1CSCCS1
InChIInChI=1S/C13H22OS2/c1-11(13-10-15-7-8-16-13)14-9-12-5-3-2-4-6-12/h9,11,13H,2-8,10H2,1H3
InChIKeyRUDJVQRUXFDTKY-UHFFFAOYSA-N
XLogP4.09
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.45
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4Z)-4-(methoxymethylidene)-2-methylthiane
CID 90036675
4-(Methoxymethylidene)-2-methylthiane
CID 90036676
2-(Cyclopentylidenemethoxymethyl)-2-methyl-1,4-dithiane
CID 176602957
2-[1-(Cyclohexylidenemethoxy)ethyl]thiolane
CID 176603034
2-[2-(Cyclohexylidenemethoxy)ethyl]-1,4-dithiane
CID 176603107
2-[3-(Cyclohexylidenemethoxy)propyl]-1,4-dithiane
CID 176603296
2-(Cyclohexylidenemethoxymethyl)-2-methyl-1,4-dithiane 1,4-dioxide
CID 176603305
2-[1-(Cyclohexylidenemethoxy)ethyl]-1,4-dithiane 1,1,4,4-tetraoxide
CID 176603321
2-(Cyclohexylidenemethoxymethyl)-1,4-dithiane 1,4-dioxide
CID 176603415
4-[1-(Cyclohexylidenemethoxy)ethyl]thiane
CID 176603618
2-(Cyclohexylidenemethoxymethyl)thiane
CID 176604025
2-(Cyclohexylidenemethoxymethyl)-2-ethyl-1,4-dithiane
CID 176604193

Frequently Asked Questions

What is the IUPAC name of 2-[1-(cyclohexylidenemethoxy)ethyl]-1,4-dithiane?
The IUPAC name of 2-[1-(cyclohexylidenemethoxy)ethyl]-1,4-dithiane (CID 176603658) is 2-[1-(cyclohexylidenemethoxy)ethyl]-1,4-dithiane.
What is the SMILES notation for 2-[1-(cyclohexylidenemethoxy)ethyl]-1,4-dithiane?
The canonical SMILES for 2-[1-(cyclohexylidenemethoxy)ethyl]-1,4-dithiane is CC(OC=C1CCCCC1)C1CSCCS1.
What is the InChIKey of 2-[1-(cyclohexylidenemethoxy)ethyl]-1,4-dithiane?
The InChIKey is RUDJVQRUXFDTKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22OS2/c1-11(13-10-15-7-8-16-13)14-9-12-5-3-2-4-6-12/h9,11,13H,2-8,10H2,1H3.
What are the key properties of 2-[1-(cyclohexylidenemethoxy)ethyl]-1,4-dithiane?
2-[1-(cyclohexylidenemethoxy)ethyl]-1,4-dithiane has a molecular weight of 258.45 g/mol, XLogP of 4.09, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cyclohexylidenemethoxy)ethyl]-1,4-dithiane is sourced from PubChem (CID 176603658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).