2-(cyclopentylidenemethoxymethyl)-1,4-dithiane 1,4-dioxide

C11H18O3S2 — CID 176603509

IUPAC2-(cyclopentylidenemethoxymethyl)-1,4-dithiane 1,4-dioxide
SMILESO=S1CCS(=O)C(COC=C2CCCC2)C1
InChIInChI=1S/C11H18O3S2/c12-15-5-6-16(13)11(9-15)8-14-7-10-3-1-2-4-10/h7,11H,1-6,8-9H2
InChIKeyLMXZEEHEVVEDSH-UHFFFAOYSA-N
MW262.40 g/mol
LogP1.34
Rot. Bonds3

About 2-(cyclopentylidenemethoxymethyl)-1,4-dithiane 1,4-dioxide

2-(cyclopentylidenemethoxymethyl)-1,4-dithiane 1,4-dioxide (PubChem CID 176603509) has the molecular formula C11H18O3S2 and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-(cyclopentylidenemethoxymethyl)-1,4-dithiane 1,4-dioxide.

Molecular Properties

Compound Name2-(cyclopentylidenemethoxymethyl)-1,4-dithiane 1,4-dioxide
PubChem CID176603509
Molecular FormulaC11H18O3S2
Molecular Weight262.40 g/mol
Exact Mass262.07
IUPAC Name2-(cyclopentylidenemethoxymethyl)-1,4-dithiane 1,4-dioxide
SMILESO=S1CCS(=O)C(COC=C2CCCC2)C1
InChIInChI=1S/C11H18O3S2/c12-15-5-6-16(13)11(9-15)8-14-7-10-3-1-2-4-10/h7,11H,1-6,8-9H2
InChIKeyLMXZEEHEVVEDSH-UHFFFAOYSA-N
XLogP1.34
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 51.34
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
4-(Cyclopentylidenemethoxymethyl)thiane 1,1-dioxide
CID 176603172
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-(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-[1-(Cyclopentylidenemethoxy)ethyl]-1,4-dithiane 1,4-dioxide
CID 176603449
2-[2-(Cyclopentylidenemethoxy)ethyl]thiane 1-oxide
CID 176603483
2-(2-Methylprop-1-enoxymethyl)-1,4-dithiane 1,4-dioxide
CID 176603499
3-(Cyclopentylidenemethoxymethyl)thiane 1-oxide
CID 176603589

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylidenemethoxymethyl)-1,4-dithiane 1,4-dioxide?
The IUPAC name of 2-(cyclopentylidenemethoxymethyl)-1,4-dithiane 1,4-dioxide (CID 176603509) is 2-(cyclopentylidenemethoxymethyl)-1,4-dithiane 1,4-dioxide.
What is the SMILES notation for 2-(cyclopentylidenemethoxymethyl)-1,4-dithiane 1,4-dioxide?
The canonical SMILES for 2-(cyclopentylidenemethoxymethyl)-1,4-dithiane 1,4-dioxide is O=S1CCS(=O)C(COC=C2CCCC2)C1.
What is the InChIKey of 2-(cyclopentylidenemethoxymethyl)-1,4-dithiane 1,4-dioxide?
The InChIKey is LMXZEEHEVVEDSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O3S2/c12-15-5-6-16(13)11(9-15)8-14-7-10-3-1-2-4-10/h7,11H,1-6,8-9H2.
What are the key properties of 2-(cyclopentylidenemethoxymethyl)-1,4-dithiane 1,4-dioxide?
2-(cyclopentylidenemethoxymethyl)-1,4-dithiane 1,4-dioxide has a molecular weight of 262.40 g/mol, XLogP of 1.34, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylidenemethoxymethyl)-1,4-dithiane 1,4-dioxide is sourced from PubChem (CID 176603509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).