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

C11H18O2S — CID 176603124

IUPAC3-[1-(cyclopentylidenemethoxy)ethyl]thietane 1-oxide
SMILESCC(OC=C1CCCC1)C1CS(=O)C1
InChIInChI=1S/C11H18O2S/c1-9(11-7-14(12)8-11)13-6-10-4-2-3-5-10/h6,9,11H,2-5,7-8H2,1H3
InChIKeyYPZJYEQZISLQFV-UHFFFAOYSA-N
MW214.33 g/mol
LogP2.23
Rot. Bonds3

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

3-[1-(cyclopentylidenemethoxy)ethyl]thietane 1-oxide (PubChem CID 176603124) has the molecular formula C11H18O2S and a molecular weight of 214.33 g/mol. Its IUPAC name is 3-[1-(cyclopentylidenemethoxy)ethyl]thietane 1-oxide.

Molecular Properties

Compound Name3-[1-(cyclopentylidenemethoxy)ethyl]thietane 1-oxide
PubChem CID176603124
Molecular FormulaC11H18O2S
Molecular Weight214.33 g/mol
Exact Mass214.10
IUPAC Name3-[1-(cyclopentylidenemethoxy)ethyl]thietane 1-oxide
SMILESCC(OC=C1CCCC1)C1CS(=O)C1
InChIInChI=1S/C11H18O2S/c1-9(11-7-14(12)8-11)13-6-10-4-2-3-5-10/h6,9,11H,2-5,7-8H2,1H3
InChIKeyYPZJYEQZISLQFV-UHFFFAOYSA-N
XLogP2.23
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
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'}

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Related Compounds

3-[1-(Cyclopentylidenemethoxy)ethyl]thiolane 1-oxide
CID 176603029
3-[2-(Cyclopentylidenemethoxy)ethyl]thietane 1-oxide
CID 176603042
3-(Cyclopentylidenemethoxymethyl)thietane 1,1-dioxide
CID 176603060
3-[2-(Cyclopentylidenemethoxy)ethyl]-3-methylthietane 1-oxide
CID 176603276
3-[3-(Cyclopentylidenemethoxy)propyl]thietane 1,1-dioxide
CID 176603297
4-[1-(Cyclopentylidenemethoxy)ethyl]thiane 1-oxide
CID 176603563
3-(Cyclopentylidenemethoxymethyl)-3-methylthietane 1-oxide
CID 176603593
3-[1-(Cyclopentylidenemethoxy)ethyl]thietane
CID 176603599
3-(Cyclopentylidenemethoxymethyl)-3-ethylthietane 1,1-dioxide
CID 176603703
3-(Cyclopentylidenemethoxymethyl)-3-methylthietane 1,1-dioxide
CID 176603705
3-[1-(Cyclohexylidenemethoxy)ethyl]thietane 1,1-dioxide
CID 176603769
3-[1-(2-Methylprop-1-enoxy)ethyl]thietane 1-oxide
CID 176604057

Frequently Asked Questions

What is the IUPAC name of 3-[1-(cyclopentylidenemethoxy)ethyl]thietane 1-oxide?
The IUPAC name of 3-[1-(cyclopentylidenemethoxy)ethyl]thietane 1-oxide (CID 176603124) is 3-[1-(cyclopentylidenemethoxy)ethyl]thietane 1-oxide.
What is the SMILES notation for 3-[1-(cyclopentylidenemethoxy)ethyl]thietane 1-oxide?
The canonical SMILES for 3-[1-(cyclopentylidenemethoxy)ethyl]thietane 1-oxide is CC(OC=C1CCCC1)C1CS(=O)C1.
What is the InChIKey of 3-[1-(cyclopentylidenemethoxy)ethyl]thietane 1-oxide?
The InChIKey is YPZJYEQZISLQFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2S/c1-9(11-7-14(12)8-11)13-6-10-4-2-3-5-10/h6,9,11H,2-5,7-8H2,1H3.
What are the key properties of 3-[1-(cyclopentylidenemethoxy)ethyl]thietane 1-oxide?
3-[1-(cyclopentylidenemethoxy)ethyl]thietane 1-oxide has a molecular weight of 214.33 g/mol, XLogP of 2.23, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(cyclopentylidenemethoxy)ethyl]thietane 1-oxide is sourced from PubChem (CID 176603124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).