4-(cyclopentylidenemethoxymethyl)thiane 1,1-dioxide

C12H20O3S — CID 176603172

IUPAC4-(cyclopentylidenemethoxymethyl)thiane 1,1-dioxide
SMILESO=S1(=O)CCC(COC=C2CCCC2)CC1
InChIInChI=1S/C12H20O3S/c13-16(14)7-5-12(6-8-16)10-15-9-11-3-1-2-4-11/h9,12H,1-8,10H2
InChIKeyXZWONLQLYNSOFE-UHFFFAOYSA-N
MW244.36 g/mol
LogP2.29
Rot. Bonds3

About 4-(cyclopentylidenemethoxymethyl)thiane 1,1-dioxide

4-(cyclopentylidenemethoxymethyl)thiane 1,1-dioxide (PubChem CID 176603172) has the molecular formula C12H20O3S and a molecular weight of 244.36 g/mol. Its IUPAC name is 4-(cyclopentylidenemethoxymethyl)thiane 1,1-dioxide.

Molecular Properties

Compound Name4-(cyclopentylidenemethoxymethyl)thiane 1,1-dioxide
PubChem CID176603172
Molecular FormulaC12H20O3S
Molecular Weight244.36 g/mol
Exact Mass244.11
IUPAC Name4-(cyclopentylidenemethoxymethyl)thiane 1,1-dioxide
SMILESO=S1(=O)CCC(COC=C2CCCC2)CC1
InChIInChI=1S/C12H20O3S/c13-16(14)7-5-12(6-8-16)10-15-9-11-3-1-2-4-11/h9,12H,1-8,10H2
InChIKeyXZWONLQLYNSOFE-UHFFFAOYSA-N
XLogP2.29
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 52.29
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]-2-methylthiirane 1,1-dioxide
CID 176602931
4-[2-(2-Methylprop-1-enoxy)ethyl]thiane 1,1-dioxide
CID 176602955
3-[2-(Cyclopentylidenemethoxy)ethyl]thiolane 1,1-dioxide
CID 176603092
4-[2-(Cyclopentylidenemethoxy)ethyl]-4-methylthiane 1,1-dioxide
CID 176603101
3-[1-(Cyclopentylidenemethoxy)ethyl]thiane 1,1-dioxide
CID 176603111
4-[3-(Cyclopentylidenemethoxy)propyl]thiane 1,1-dioxide
CID 176603112
3-[2-(Cyclopentylidenemethoxy)ethyl]thiolane 1-oxide
CID 176603171
2-[2-(Cyclopentylidenemethoxy)ethyl]-2-methyl-1,4-dithiane 1,4-dioxide
CID 176603226
3-(Cyclopentylidenemethoxymethyl)-3-methylthiane 1,1-dioxide
CID 176603237
2-[2-(Cyclopentylidenemethoxy)ethyl]-1,4-dithiane 1,4-dioxide
CID 176603245
4-(Cyclopentylidenemethoxymethyl)-4-methylthiane 1,1-dioxide
CID 176603248
3-[3-(Cyclopentylidenemethoxy)propyl]thiolane 1,1-dioxide
CID 176603258

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopentylidenemethoxymethyl)thiane 1,1-dioxide?
The IUPAC name of 4-(cyclopentylidenemethoxymethyl)thiane 1,1-dioxide (CID 176603172) is 4-(cyclopentylidenemethoxymethyl)thiane 1,1-dioxide.
What is the SMILES notation for 4-(cyclopentylidenemethoxymethyl)thiane 1,1-dioxide?
The canonical SMILES for 4-(cyclopentylidenemethoxymethyl)thiane 1,1-dioxide is O=S1(=O)CCC(COC=C2CCCC2)CC1.
What is the InChIKey of 4-(cyclopentylidenemethoxymethyl)thiane 1,1-dioxide?
The InChIKey is XZWONLQLYNSOFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O3S/c13-16(14)7-5-12(6-8-16)10-15-9-11-3-1-2-4-11/h9,12H,1-8,10H2.
What are the key properties of 4-(cyclopentylidenemethoxymethyl)thiane 1,1-dioxide?
4-(cyclopentylidenemethoxymethyl)thiane 1,1-dioxide has a molecular weight of 244.36 g/mol, XLogP of 2.29, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopentylidenemethoxymethyl)thiane 1,1-dioxide is sourced from PubChem (CID 176603172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).