2-[1-(cyclopentylidenemethoxy)ethyl]thiolane 1-oxide

C12H20O2S — CID 176603159

IUPAC2-[1-(cyclopentylidenemethoxy)ethyl]thiolane 1-oxide
SMILESCC(OC=C1CCCC1)C1CCCS1=O
InChIInChI=1S/C12H20O2S/c1-10(12-7-4-8-15(12)13)14-9-11-5-2-3-6-11/h9-10,12H,2-8H2,1H3
InChIKeyNIGUDQSRUSFJJR-UHFFFAOYSA-N
MW228.36 g/mol
LogP2.76
Rot. Bonds3

About 2-[1-(cyclopentylidenemethoxy)ethyl]thiolane 1-oxide

2-[1-(cyclopentylidenemethoxy)ethyl]thiolane 1-oxide (PubChem CID 176603159) has the molecular formula C12H20O2S and a molecular weight of 228.36 g/mol. Its IUPAC name is 2-[1-(cyclopentylidenemethoxy)ethyl]thiolane 1-oxide.

Molecular Properties

Compound Name2-[1-(cyclopentylidenemethoxy)ethyl]thiolane 1-oxide
PubChem CID176603159
Molecular FormulaC12H20O2S
Molecular Weight228.36 g/mol
Exact Mass228.12
IUPAC Name2-[1-(cyclopentylidenemethoxy)ethyl]thiolane 1-oxide
SMILESCC(OC=C1CCCC1)C1CCCS1=O
InChIInChI=1S/C12H20O2S/c1-10(12-7-4-8-15(12)13)14-9-11-5-2-3-6-11/h9-10,12H,2-8H2,1H3
InChIKeyNIGUDQSRUSFJJR-UHFFFAOYSA-N
XLogP2.76
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 52.76
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

2-[1-(2-Methylprop-1-enoxy)ethyl]thiolane 1,1-dioxide
CID 176602972
3-[1-(Cyclopentylidenemethoxy)ethyl]thiolane 1-oxide
CID 176603029
3-[2-(Cyclopentylidenemethoxy)ethyl]thiolane 1-oxide
CID 176603171
2-[1-(Cyclopentylidenemethoxy)ethyl]thiolane
CID 176603175
3-[1-(Cyclohexylidenemethoxy)ethyl]thiolane 1-oxide
CID 176603178
2-[2-(Cyclohexylidenemethoxy)ethyl]thiolane 1-oxide
CID 176603406
2-[1-(Cyclopentylidenemethoxy)ethyl]-1,4-dithiane 1,4-dioxide
CID 176603449
2-[1-(2-Methylprop-1-enoxy)ethyl]thiolane 1-oxide
CID 176603469
2-(Cyclohexylidenemethoxymethyl)thiolane 1-oxide
CID 176603473
2-[3-(Cyclopentylidenemethoxy)propyl]thiolane 1-oxide
CID 176603827
2-[2-(Cyclopentylidenemethoxy)ethyl]-2-methylthiolane 1-oxide
CID 176603951
3-(Cyclopentylidenemethoxymethyl)-3-methylthiolane 1-oxide
CID 176603956

Frequently Asked Questions

What is the IUPAC name of 2-[1-(cyclopentylidenemethoxy)ethyl]thiolane 1-oxide?
The IUPAC name of 2-[1-(cyclopentylidenemethoxy)ethyl]thiolane 1-oxide (CID 176603159) is 2-[1-(cyclopentylidenemethoxy)ethyl]thiolane 1-oxide.
What is the SMILES notation for 2-[1-(cyclopentylidenemethoxy)ethyl]thiolane 1-oxide?
The canonical SMILES for 2-[1-(cyclopentylidenemethoxy)ethyl]thiolane 1-oxide is CC(OC=C1CCCC1)C1CCCS1=O.
What is the InChIKey of 2-[1-(cyclopentylidenemethoxy)ethyl]thiolane 1-oxide?
The InChIKey is NIGUDQSRUSFJJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2S/c1-10(12-7-4-8-15(12)13)14-9-11-5-2-3-6-11/h9-10,12H,2-8H2,1H3.
What are the key properties of 2-[1-(cyclopentylidenemethoxy)ethyl]thiolane 1-oxide?
2-[1-(cyclopentylidenemethoxy)ethyl]thiolane 1-oxide has a molecular weight of 228.36 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cyclopentylidenemethoxy)ethyl]thiolane 1-oxide is sourced from PubChem (CID 176603159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).