2-(cyclopentylidenemethoxymethyl)thiolane 1,1-dioxide

C11H18O3S — CID 176603965

IUPAC2-(cyclopentylidenemethoxymethyl)thiolane 1,1-dioxide
SMILESO=S1(=O)CCCC1COC=C1CCCC1
InChIInChI=1S/C11H18O3S/c12-15(13)7-3-6-11(15)9-14-8-10-4-1-2-5-10/h8,11H,1-7,9H2
InChIKeyWQCIKDXWBFDEPY-UHFFFAOYSA-N
MW230.33 g/mol
LogP2.04
Rot. Bonds3

About 2-(cyclopentylidenemethoxymethyl)thiolane 1,1-dioxide

2-(cyclopentylidenemethoxymethyl)thiolane 1,1-dioxide (PubChem CID 176603965) has the molecular formula C11H18O3S and a molecular weight of 230.33 g/mol. Its IUPAC name is 2-(cyclopentylidenemethoxymethyl)thiolane 1,1-dioxide.

Molecular Properties

Compound Name2-(cyclopentylidenemethoxymethyl)thiolane 1,1-dioxide
PubChem CID176603965
Molecular FormulaC11H18O3S
Molecular Weight230.33 g/mol
Exact Mass230.10
IUPAC Name2-(cyclopentylidenemethoxymethyl)thiolane 1,1-dioxide
SMILESO=S1(=O)CCCC1COC=C1CCCC1
InChIInChI=1S/C11H18O3S/c12-15(13)7-3-6-11(15)9-14-8-10-4-1-2-5-10/h8,11H,1-7,9H2
InChIKeyWQCIKDXWBFDEPY-UHFFFAOYSA-N
XLogP2.04
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.33
LogP ≤ 52.04
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-[2-(Cyclopentylidenemethoxy)ethyl]thiirane 1,1-dioxide
CID 176603082
3-[2-(Cyclopentylidenemethoxy)ethyl]thiolane 1,1-dioxide
CID 176603092
2-[3-(Cyclopentylidenemethoxy)propyl]thiirane 1-oxide
CID 176603130
2-[1-(Cyclopentylidenemethoxy)ethyl]thiolane 1-oxide
CID 176603159
3-[2-(Cyclopentylidenemethoxy)ethyl]thiolane 1-oxide
CID 176603171
4-(Cyclopentylidenemethoxymethyl)thiane 1,1-dioxide
CID 176603172
3-[3-(Cyclopentylidenemethoxy)propyl]thiolane 1,1-dioxide
CID 176603258
3-[3-(Cyclopentylidenemethoxy)propyl]thietane 1,1-dioxide
CID 176603297
2-(2-Methylprop-1-enoxymethyl)thiolane 1,1-dioxide
CID 176603340
2-(Cyclohexylidenemethoxymethyl)thiolane 1-oxide
CID 176603473
3-[3-(Cyclopentylidenemethoxy)propyl]-3-ethylthiolane 1,1-dioxide
CID 176603559
2-[2-(Cyclopentylidenemethoxy)ethyl]thiane 1,1-dioxide
CID 176603576

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylidenemethoxymethyl)thiolane 1,1-dioxide?
The IUPAC name of 2-(cyclopentylidenemethoxymethyl)thiolane 1,1-dioxide (CID 176603965) is 2-(cyclopentylidenemethoxymethyl)thiolane 1,1-dioxide.
What is the SMILES notation for 2-(cyclopentylidenemethoxymethyl)thiolane 1,1-dioxide?
The canonical SMILES for 2-(cyclopentylidenemethoxymethyl)thiolane 1,1-dioxide is O=S1(=O)CCCC1COC=C1CCCC1.
What is the InChIKey of 2-(cyclopentylidenemethoxymethyl)thiolane 1,1-dioxide?
The InChIKey is WQCIKDXWBFDEPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O3S/c12-15(13)7-3-6-11(15)9-14-8-10-4-1-2-5-10/h8,11H,1-7,9H2.
What are the key properties of 2-(cyclopentylidenemethoxymethyl)thiolane 1,1-dioxide?
2-(cyclopentylidenemethoxymethyl)thiolane 1,1-dioxide has a molecular weight of 230.33 g/mol, XLogP of 2.04, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylidenemethoxymethyl)thiolane 1,1-dioxide is sourced from PubChem (CID 176603965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).