3-[2-(cyclopentylidenemethoxy)ethyl]thietane 1-oxide

C11H18O2S — CID 176603042

IUPAC3-[2-(cyclopentylidenemethoxy)ethyl]thietane 1-oxide
SMILESO=S1CC(CCOC=C2CCCC2)C1
InChIInChI=1S/C11H18O2S/c12-14-8-11(9-14)5-6-13-7-10-3-1-2-4-10/h7,11H,1-6,8-9H2
InChIKeyGAWJRNSHAQBYJG-UHFFFAOYSA-N
MW214.33 g/mol
LogP2.23
Rot. Bonds4

About 3-[2-(cyclopentylidenemethoxy)ethyl]thietane 1-oxide

3-[2-(cyclopentylidenemethoxy)ethyl]thietane 1-oxide (PubChem CID 176603042) has the molecular formula C11H18O2S and a molecular weight of 214.33 g/mol. Its IUPAC name is 3-[2-(cyclopentylidenemethoxy)ethyl]thietane 1-oxide.

Molecular Properties

Compound Name3-[2-(cyclopentylidenemethoxy)ethyl]thietane 1-oxide
PubChem CID176603042
Molecular FormulaC11H18O2S
Molecular Weight214.33 g/mol
Exact Mass214.10
IUPAC Name3-[2-(cyclopentylidenemethoxy)ethyl]thietane 1-oxide
SMILESO=S1CC(CCOC=C2CCCC2)C1
InChIInChI=1S/C11H18O2S/c12-14-8-11(9-14)5-6-13-7-10-3-1-2-4-10/h7,11H,1-6,8-9H2
InChIKeyGAWJRNSHAQBYJG-UHFFFAOYSA-N
XLogP2.23
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(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]thiolane 1-oxide
CID 176603171
3-[2-(Cyclopentylidenemethoxy)ethyl]-3-methylthietane 1-oxide
CID 176603276
3-[3-(Cyclopentylidenemethoxy)propyl]thietane 1,1-dioxide
CID 176603297
3-(Cyclopentylidenemethoxymethyl)thiane 1-oxide
CID 176603589
3-(Cyclopentylidenemethoxymethyl)-3-methylthietane 1-oxide
CID 176603593
3-(Cyclopentylidenemethoxymethyl)-3-ethylthietane 1,1-dioxide
CID 176603703
3-(Cyclopentylidenemethoxymethyl)-3-methylthietane 1,1-dioxide
CID 176603705
3-(Cyclopentylidenemethoxymethyl)thietane
CID 176603861
3-[2-(Cyclohexylidenemethoxy)ethyl]thietane 1,1-dioxide
CID 176604024

Frequently Asked Questions

What is the IUPAC name of 3-[2-(cyclopentylidenemethoxy)ethyl]thietane 1-oxide?
The IUPAC name of 3-[2-(cyclopentylidenemethoxy)ethyl]thietane 1-oxide (CID 176603042) is 3-[2-(cyclopentylidenemethoxy)ethyl]thietane 1-oxide.
What is the SMILES notation for 3-[2-(cyclopentylidenemethoxy)ethyl]thietane 1-oxide?
The canonical SMILES for 3-[2-(cyclopentylidenemethoxy)ethyl]thietane 1-oxide is O=S1CC(CCOC=C2CCCC2)C1.
What is the InChIKey of 3-[2-(cyclopentylidenemethoxy)ethyl]thietane 1-oxide?
The InChIKey is GAWJRNSHAQBYJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2S/c12-14-8-11(9-14)5-6-13-7-10-3-1-2-4-10/h7,11H,1-6,8-9H2.
What are the key properties of 3-[2-(cyclopentylidenemethoxy)ethyl]thietane 1-oxide?
3-[2-(cyclopentylidenemethoxy)ethyl]thietane 1-oxide has a molecular weight of 214.33 g/mol, XLogP of 2.23, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(cyclopentylidenemethoxy)ethyl]thietane 1-oxide is sourced from PubChem (CID 176603042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).