4-[1-(cyclopentylidenemethoxy)ethyl]thiane 1-oxide

C13H22O2S — CID 176603563

IUPAC4-[1-(cyclopentylidenemethoxy)ethyl]thiane 1-oxide
SMILESCC(OC=C1CCCC1)C1CCS(=O)CC1
InChIInChI=1S/C13H22O2S/c1-11(13-6-8-16(14)9-7-13)15-10-12-4-2-3-5-12/h10-11,13H,2-9H2,1H3
InChIKeyMBXUFWZZAYZYKY-UHFFFAOYSA-N
MW242.38 g/mol
LogP3.01
Rot. Bonds3

About 4-[1-(cyclopentylidenemethoxy)ethyl]thiane 1-oxide

4-[1-(cyclopentylidenemethoxy)ethyl]thiane 1-oxide (PubChem CID 176603563) has the molecular formula C13H22O2S and a molecular weight of 242.38 g/mol. Its IUPAC name is 4-[1-(cyclopentylidenemethoxy)ethyl]thiane 1-oxide.

Molecular Properties

Compound Name4-[1-(cyclopentylidenemethoxy)ethyl]thiane 1-oxide
PubChem CID176603563
Molecular FormulaC13H22O2S
Molecular Weight242.38 g/mol
Exact Mass242.13
IUPAC Name4-[1-(cyclopentylidenemethoxy)ethyl]thiane 1-oxide
SMILESCC(OC=C1CCCC1)C1CCS(=O)CC1
InChIInChI=1S/C13H22O2S/c1-11(13-6-8-16(14)9-7-13)15-10-12-4-2-3-5-12/h10-11,13H,2-9H2,1H3
InChIKeyMBXUFWZZAYZYKY-UHFFFAOYSA-N
XLogP3.01
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.38
LogP ≤ 53.01
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
4-[1-(Cyclohexylidenemethoxy)ethyl]thiane 1-oxide
CID 176603063
4-[2-(Cyclopentylidenemethoxy)ethyl]-4-methylthiane 1,1-dioxide
CID 176603101
3-[1-(Cyclopentylidenemethoxy)ethyl]thiane 1,1-dioxide
CID 176603111
3-[1-(Cyclopentylidenemethoxy)ethyl]thietane 1-oxide
CID 176603124
3-[2-(Cyclopentylidenemethoxy)ethyl]thiolane 1-oxide
CID 176603171
4-(Cyclopentylidenemethoxymethyl)thiane 1,1-dioxide
CID 176603172
3-[1-(Cyclohexylidenemethoxy)ethyl]thiolane 1-oxide
CID 176603178
3-(Cyclopentylidenemethoxymethyl)-3-ethylthiane 1-oxide
CID 176603214
2-[2-(Cyclopentylidenemethoxy)ethyl]-2-methyl-1,4-dithiane 1,4-dioxide
CID 176603226
2-[2-(Cyclopentylidenemethoxy)ethyl]-1,4-dithiane 1,4-dioxide
CID 176603245
4-(Cyclopentylidenemethoxymethyl)-4-methylthiane 1,1-dioxide
CID 176603248

Frequently Asked Questions

What is the IUPAC name of 4-[1-(cyclopentylidenemethoxy)ethyl]thiane 1-oxide?
The IUPAC name of 4-[1-(cyclopentylidenemethoxy)ethyl]thiane 1-oxide (CID 176603563) is 4-[1-(cyclopentylidenemethoxy)ethyl]thiane 1-oxide.
What is the SMILES notation for 4-[1-(cyclopentylidenemethoxy)ethyl]thiane 1-oxide?
The canonical SMILES for 4-[1-(cyclopentylidenemethoxy)ethyl]thiane 1-oxide is CC(OC=C1CCCC1)C1CCS(=O)CC1.
What is the InChIKey of 4-[1-(cyclopentylidenemethoxy)ethyl]thiane 1-oxide?
The InChIKey is MBXUFWZZAYZYKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O2S/c1-11(13-6-8-16(14)9-7-13)15-10-12-4-2-3-5-12/h10-11,13H,2-9H2,1H3.
What are the key properties of 4-[1-(cyclopentylidenemethoxy)ethyl]thiane 1-oxide?
4-[1-(cyclopentylidenemethoxy)ethyl]thiane 1-oxide has a molecular weight of 242.38 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(cyclopentylidenemethoxy)ethyl]thiane 1-oxide is sourced from PubChem (CID 176603563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).