3-(cyclopentylidenemethoxymethyl)thietane 1-oxide

C10H16O2S — CID 176605214

IUPAC3-(cyclopentylidenemethoxymethyl)thietane 1-oxide
SMILESO=S1CC(COC=C2CCCC2)C1
InChIInChI=1S/C10H16O2S/c11-13-7-10(8-13)6-12-5-9-3-1-2-4-9/h5,10H,1-4,6-8H2
InChIKeyOGNNCBRFSLCKHI-UHFFFAOYSA-N
MW200.30 g/mol
LogP1.84
Rot. Bonds3

About 3-(cyclopentylidenemethoxymethyl)thietane 1-oxide

3-(cyclopentylidenemethoxymethyl)thietane 1-oxide (PubChem CID 176605214) has the molecular formula C10H16O2S and a molecular weight of 200.30 g/mol. Its IUPAC name is 3-(cyclopentylidenemethoxymethyl)thietane 1-oxide.

Molecular Properties

Compound Name3-(cyclopentylidenemethoxymethyl)thietane 1-oxide
PubChem CID176605214
Molecular FormulaC10H16O2S
Molecular Weight200.30 g/mol
Exact Mass200.09
IUPAC Name3-(cyclopentylidenemethoxymethyl)thietane 1-oxide
SMILESO=S1CC(COC=C2CCCC2)C1
InChIInChI=1S/C10H16O2S/c11-13-7-10(8-13)6-12-5-9-3-1-2-4-9/h5,10H,1-4,6-8H2
InChIKeyOGNNCBRFSLCKHI-UHFFFAOYSA-N
XLogP1.84
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.30
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

3-[2-(Cyclopentylidenemethoxy)ethyl]thietane 1-oxide
CID 176603042
3-(Cyclopentylidenemethoxymethyl)thietane 1,1-dioxide
CID 176603060
3-[1-(Cyclopentylidenemethoxy)ethyl]thietane 1-oxide
CID 176603124
2-[3-(Cyclopentylidenemethoxy)propyl]thiirane 1-oxide
CID 176603130
3-[2-(Cyclopentylidenemethoxy)ethyl]-3-methylthietane 1-oxide
CID 176603276
3-[3-(Cyclopentylidenemethoxy)propyl]thietane 1,1-dioxide
CID 176603297
2-(Cyclopentylidenemethoxymethyl)-1,4-dithiane 1,4-dioxide
CID 176603509
3-(Cyclopentylidenemethoxymethyl)-3-methylthietane 1-oxide
CID 176603593
3-(Cyclopentylidenemethoxymethyl)-3-methylthietane 1,1-dioxide
CID 176603705
3-(Cyclopentylidenemethoxymethyl)-3-methylthietane
CID 176603708
3-(Cyclohexylidenemethoxymethyl)thietane 1,1-dioxide
CID 176603718
2-(Cyclopentylidenemethoxymethyl)thiirane 1-oxide
CID 176603763

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopentylidenemethoxymethyl)thietane 1-oxide?
The IUPAC name of 3-(cyclopentylidenemethoxymethyl)thietane 1-oxide (CID 176605214) is 3-(cyclopentylidenemethoxymethyl)thietane 1-oxide.
What is the SMILES notation for 3-(cyclopentylidenemethoxymethyl)thietane 1-oxide?
The canonical SMILES for 3-(cyclopentylidenemethoxymethyl)thietane 1-oxide is O=S1CC(COC=C2CCCC2)C1.
What is the InChIKey of 3-(cyclopentylidenemethoxymethyl)thietane 1-oxide?
The InChIKey is OGNNCBRFSLCKHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2S/c11-13-7-10(8-13)6-12-5-9-3-1-2-4-9/h5,10H,1-4,6-8H2.
What are the key properties of 3-(cyclopentylidenemethoxymethyl)thietane 1-oxide?
3-(cyclopentylidenemethoxymethyl)thietane 1-oxide has a molecular weight of 200.30 g/mol, XLogP of 1.84, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopentylidenemethoxymethyl)thietane 1-oxide is sourced from PubChem (CID 176605214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).