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

C12H20O3S2 — CID 176603449

IUPAC2-[1-(cyclopentylidenemethoxy)ethyl]-1,4-dithiane 1,4-dioxide
SMILESCC(OC=C1CCCC1)C1CS(=O)CCS1=O
InChIInChI=1S/C12H20O3S2/c1-10(15-8-11-4-2-3-5-11)12-9-16(13)6-7-17(12)14/h8,10,12H,2-7,9H2,1H3
InChIKeyHMOFEXBDXBQXSK-UHFFFAOYSA-N
MW276.42 g/mol
LogP1.73
Rot. Bonds3

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

2-[1-(cyclopentylidenemethoxy)ethyl]-1,4-dithiane 1,4-dioxide (PubChem CID 176603449) has the molecular formula C12H20O3S2 and a molecular weight of 276.42 g/mol. Its IUPAC name is 2-[1-(cyclopentylidenemethoxy)ethyl]-1,4-dithiane 1,4-dioxide.

Molecular Properties

Compound Name2-[1-(cyclopentylidenemethoxy)ethyl]-1,4-dithiane 1,4-dioxide
PubChem CID176603449
Molecular FormulaC12H20O3S2
Molecular Weight276.42 g/mol
Exact Mass276.09
IUPAC Name2-[1-(cyclopentylidenemethoxy)ethyl]-1,4-dithiane 1,4-dioxide
SMILESCC(OC=C1CCCC1)C1CS(=O)CCS1=O
InChIInChI=1S/C12H20O3S2/c1-10(15-8-11-4-2-3-5-11)12-9-16(13)6-7-17(12)14/h8,10,12H,2-7,9H2,1H3
InChIKeyHMOFEXBDXBQXSK-UHFFFAOYSA-N
XLogP1.73
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 51.73
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

2-(Cyclopentylidenemethoxymethyl)-2-methyl-1,4-dithiane
CID 176602957
2-[1-(Cyclopentylidenemethoxy)ethyl]thiolane 1-oxide
CID 176603159
2-[2-(Cyclopentylidenemethoxy)ethyl]-2-methyl-1,4-dithiane 1,4-dioxide
CID 176603226
2-[2-(Cyclopentylidenemethoxy)ethyl]-1,4-dithiane 1,4-dioxide
CID 176603245
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-[1-(2-Methylprop-1-enoxy)ethyl]-1,4-dithiane 1,4-dioxide
CID 176603332
2-(Cyclopentylidenemethoxymethyl)-1,4-dithiane 1,4-dioxide
CID 176603509
4-[1-(Cyclopentylidenemethoxy)ethyl]thiane 1-oxide
CID 176603563
2-(Cyclopentylidenemethoxymethyl)-2-methyl-1,4-dithiane 1,1,4,4-tetraoxide
CID 176603631
2-(Cyclopentylidenemethoxymethyl)-2-ethyl-1,4-dithiane 1,1,4,4-tetraoxide
CID 176603699
2-[2-(Cyclopentylidenemethoxy)ethyl]-2-methyl-1,4-dithiane 1,1,4,4-tetraoxide
CID 176604012

Frequently Asked Questions

What is the IUPAC name of 2-[1-(cyclopentylidenemethoxy)ethyl]-1,4-dithiane 1,4-dioxide?
The IUPAC name of 2-[1-(cyclopentylidenemethoxy)ethyl]-1,4-dithiane 1,4-dioxide (CID 176603449) is 2-[1-(cyclopentylidenemethoxy)ethyl]-1,4-dithiane 1,4-dioxide.
What is the SMILES notation for 2-[1-(cyclopentylidenemethoxy)ethyl]-1,4-dithiane 1,4-dioxide?
The canonical SMILES for 2-[1-(cyclopentylidenemethoxy)ethyl]-1,4-dithiane 1,4-dioxide is CC(OC=C1CCCC1)C1CS(=O)CCS1=O.
What is the InChIKey of 2-[1-(cyclopentylidenemethoxy)ethyl]-1,4-dithiane 1,4-dioxide?
The InChIKey is HMOFEXBDXBQXSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O3S2/c1-10(15-8-11-4-2-3-5-11)12-9-16(13)6-7-17(12)14/h8,10,12H,2-7,9H2,1H3.
What are the key properties of 2-[1-(cyclopentylidenemethoxy)ethyl]-1,4-dithiane 1,4-dioxide?
2-[1-(cyclopentylidenemethoxy)ethyl]-1,4-dithiane 1,4-dioxide has a molecular weight of 276.42 g/mol, XLogP of 1.73, 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 1,4-dioxide is sourced from PubChem (CID 176603449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).