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

C12H20O3S2 — CID 176603245

IUPAC2-[2-(cyclopentylidenemethoxy)ethyl]-1,4-dithiane 1,4-dioxide
SMILESO=S1CCS(=O)C(CCOC=C2CCCC2)C1
InChIInChI=1S/C12H20O3S2/c13-16-7-8-17(14)12(10-16)5-6-15-9-11-3-1-2-4-11/h9,12H,1-8,10H2
InChIKeyAWVVKTLEJCNALW-UHFFFAOYSA-N
MW276.42 g/mol
LogP1.73
Rot. Bonds4

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

2-[2-(cyclopentylidenemethoxy)ethyl]-1,4-dithiane 1,4-dioxide (PubChem CID 176603245) has the molecular formula C12H20O3S2 and a molecular weight of 276.42 g/mol. Its IUPAC name is 2-[2-(cyclopentylidenemethoxy)ethyl]-1,4-dithiane 1,4-dioxide.

Molecular Properties

Compound Name2-[2-(cyclopentylidenemethoxy)ethyl]-1,4-dithiane 1,4-dioxide
PubChem CID176603245
Molecular FormulaC12H20O3S2
Molecular Weight276.42 g/mol
Exact Mass276.09
IUPAC Name2-[2-(cyclopentylidenemethoxy)ethyl]-1,4-dithiane 1,4-dioxide
SMILESO=S1CCS(=O)C(CCOC=C2CCCC2)C1
InChIInChI=1S/C12H20O3S2/c13-16-7-8-17(14)12(10-16)5-6-15-9-11-3-1-2-4-11/h9,12H,1-8,10H2
InChIKeyAWVVKTLEJCNALW-UHFFFAOYSA-N
XLogP1.73
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
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'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[2-(cyclohexylidenemethoxy)ethyl]thiolane 1-oxide
CID 176603805
3-[3-(cyclopentylidenemethoxy)propyl]thiepane 1-oxide
CID 176604582
2-(cyclopentylidenemethoxymethyl)thiirane 1-oxide
CID 176603763
3-[3-(cyclopentylidenemethoxy)propyl]thiane 1-oxide
CID 176605028
4-[3-(cyclohexylidenemethoxy)propyl]thiane 1-oxide
CID 176603867
3-[2-(cyclopentylidenemethoxy)ethyl]thietane
CID 176605101
2-[2-(cyclopentylidenemethoxy)ethyl]-2-methylthiirane 1-oxide
CID 176605208
2-(cyclopentylidenemethoxymethyl)-2-methyl-1,4-dithiane 1,4-dioxide
CID 176604236
4-(cyclopentylidenemethoxymethyl)-4-methylthiane 1-oxide
CID 176605172
2-[2-(cyclohexylidenemethoxy)ethyl]thiolane
CID 176604098
2-(cyclopentylidenemethoxymethyl)-2-methylthiocane 1-oxide
CID 176604961
3-(cyclohexylidenemethoxymethyl)-3-methylthiane 1-oxide
CID 176603125

Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclopentylidenemethoxy)ethyl]-1,4-dithiane 1,4-dioxide?
The IUPAC name of 2-[2-(cyclopentylidenemethoxy)ethyl]-1,4-dithiane 1,4-dioxide (CID 176603245) is 2-[2-(cyclopentylidenemethoxy)ethyl]-1,4-dithiane 1,4-dioxide.
What is the SMILES notation for 2-[2-(cyclopentylidenemethoxy)ethyl]-1,4-dithiane 1,4-dioxide?
The canonical SMILES for 2-[2-(cyclopentylidenemethoxy)ethyl]-1,4-dithiane 1,4-dioxide is O=S1CCS(=O)C(CCOC=C2CCCC2)C1.
What is the InChIKey of 2-[2-(cyclopentylidenemethoxy)ethyl]-1,4-dithiane 1,4-dioxide?
The InChIKey is AWVVKTLEJCNALW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O3S2/c13-16-7-8-17(14)12(10-16)5-6-15-9-11-3-1-2-4-11/h9,12H,1-8,10H2.
What are the key properties of 2-[2-(cyclopentylidenemethoxy)ethyl]-1,4-dithiane 1,4-dioxide?
2-[2-(cyclopentylidenemethoxy)ethyl]-1,4-dithiane 1,4-dioxide has a molecular weight of 276.42 g/mol, XLogP of 1.73, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclopentylidenemethoxy)ethyl]-1,4-dithiane 1,4-dioxide is sourced from PubChem (CID 176603245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).