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

C12H20OS2 — CID 176605318

IUPAC2-[1-(cyclopentylidenemethoxy)ethyl]-1,4-dithiane
SMILESCC(OC=C1CCCC1)C1CSCCS1
InChIInChI=1S/C12H20OS2/c1-10(12-9-14-6-7-15-12)13-8-11-4-2-3-5-11/h8,10,12H,2-7,9H2,1H3
InChIKeyHQUHULOGWFUGFO-UHFFFAOYSA-N
MW244.42 g/mol
LogP3.70
Rot. Bonds3

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

2-[1-(cyclopentylidenemethoxy)ethyl]-1,4-dithiane (PubChem CID 176605318) has the molecular formula C12H20OS2 and a molecular weight of 244.42 g/mol. Its IUPAC name is 2-[1-(cyclopentylidenemethoxy)ethyl]-1,4-dithiane.

Molecular Properties

Compound Name2-[1-(cyclopentylidenemethoxy)ethyl]-1,4-dithiane
PubChem CID176605318
Molecular FormulaC12H20OS2
Molecular Weight244.42 g/mol
Exact Mass244.10
IUPAC Name2-[1-(cyclopentylidenemethoxy)ethyl]-1,4-dithiane
SMILESCC(OC=C1CCCC1)C1CSCCS1
InChIInChI=1S/C12H20OS2/c1-10(12-9-14-6-7-15-12)13-8-11-4-2-3-5-11/h8,10,12H,2-7,9H2,1H3
InChIKeyHQUHULOGWFUGFO-UHFFFAOYSA-N
XLogP3.70
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.42
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[1-(cyclopentylidenemethoxy)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

2-(Cyclopentylidenemethoxymethyl)-2-methyl-1,4-dithiane
CID 176602957
2-[1-(Cyclopentylidenemethoxy)ethyl]thiirane
CID 176603355
2-(Cyclopentylidenemethoxymethyl)-2-ethyl-1,4-dithiane
CID 176603376
2-[2-(Cyclopentylidenemethoxy)ethyl]-2-methyl-1,4-dithiane
CID 176603396
2-[1-(Cyclopentylidenemethoxy)ethyl]thiane
CID 176603422
2-[1-(Cyclopentylidenemethoxy)ethyl]-1,4-dithiane 1,4-dioxide
CID 176603449
2-(Cyclopentylidenemethoxymethyl)-1,4-dithiane 1,4-dioxide
CID 176603509
2-[1-(Cyclohexylidenemethoxy)ethyl]-1,4-dithiane
CID 176603658
4-[1-(Cyclopentylidenemethoxy)ethyl]thiane
CID 176604230
2-(Cyclopentylidenemethoxymethyl)-2-methyl-1,4-dithiane 1,4-dioxide
CID 176604236
2-(Cyclohexylidenemethoxymethyl)-2-methyl-1,4-dithiane
CID 176604290
2-[2-(Cyclopentylidenemethoxy)ethyl]-1,4-dithiane
CID 176604484

Frequently Asked Questions

What is the IUPAC name of 2-[1-(cyclopentylidenemethoxy)ethyl]-1,4-dithiane?
The IUPAC name of 2-[1-(cyclopentylidenemethoxy)ethyl]-1,4-dithiane (CID 176605318) is 2-[1-(cyclopentylidenemethoxy)ethyl]-1,4-dithiane.
What is the SMILES notation for 2-[1-(cyclopentylidenemethoxy)ethyl]-1,4-dithiane?
The canonical SMILES for 2-[1-(cyclopentylidenemethoxy)ethyl]-1,4-dithiane is CC(OC=C1CCCC1)C1CSCCS1.
What is the InChIKey of 2-[1-(cyclopentylidenemethoxy)ethyl]-1,4-dithiane?
The InChIKey is HQUHULOGWFUGFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20OS2/c1-10(12-9-14-6-7-15-12)13-8-11-4-2-3-5-11/h8,10,12H,2-7,9H2,1H3.
What are the key properties of 2-[1-(cyclopentylidenemethoxy)ethyl]-1,4-dithiane?
2-[1-(cyclopentylidenemethoxy)ethyl]-1,4-dithiane has a molecular weight of 244.42 g/mol, XLogP of 3.70, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cyclopentylidenemethoxy)ethyl]-1,4-dithiane is sourced from PubChem (CID 176605318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).