3-(cyclopentylidenemethoxymethyl)-3-ethylthiane 1-oxide

C14H24O2S — CID 176603214

IUPAC3-(cyclopentylidenemethoxymethyl)-3-ethylthiane 1-oxide
SMILESCCC1(COC=C2CCCC2)CCCS(=O)C1
InChIInChI=1S/C14H24O2S/c1-2-14(8-5-9-17(15)12-14)11-16-10-13-6-3-4-7-13/h10H,2-9,11-12H2,1H3
InChIKeyCEBLZLBYEHMQII-UHFFFAOYSA-N
MW256.41 g/mol
LogP3.40
Rot. Bonds4

About 3-(cyclopentylidenemethoxymethyl)-3-ethylthiane 1-oxide

3-(cyclopentylidenemethoxymethyl)-3-ethylthiane 1-oxide (PubChem CID 176603214) has the molecular formula C14H24O2S and a molecular weight of 256.41 g/mol. Its IUPAC name is 3-(cyclopentylidenemethoxymethyl)-3-ethylthiane 1-oxide.

Molecular Properties

Compound Name3-(cyclopentylidenemethoxymethyl)-3-ethylthiane 1-oxide
PubChem CID176603214
Molecular FormulaC14H24O2S
Molecular Weight256.41 g/mol
Exact Mass256.15
IUPAC Name3-(cyclopentylidenemethoxymethyl)-3-ethylthiane 1-oxide
SMILESCCC1(COC=C2CCCC2)CCCS(=O)C1
InChIInChI=1S/C14H24O2S/c1-2-14(8-5-9-17(15)12-14)11-16-10-13-6-3-4-7-13/h10H,2-9,11-12H2,1H3
InChIKeyCEBLZLBYEHMQII-UHFFFAOYSA-N
XLogP3.40
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.41
LogP ≤ 53.40
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-[3-(Cyclohexylidenemethoxy)propyl]-3-ethylthiane 1-oxide
CID 176602905
3-(Cyclohexylidenemethoxymethyl)-3-ethylthiolane 1,1-dioxide
CID 176602925
2-[3-(Cyclopentylidenemethoxy)propyl]-2-ethylthiane 1-oxide
CID 176602962
3-[2-(Cyclohexylidenemethoxy)ethyl]-3-methylthiolane 1,1-dioxide
CID 176602963
4-[3-(Cyclohexylidenemethoxy)propyl]-4-ethylthiane 1,1-dioxide
CID 176602974
4-(Cyclohexylidenemethoxymethyl)-4-methylthiane 1,1-dioxide
CID 176602986
3-(Cyclohexylidenemethoxymethyl)-3-methylthiepane 1-oxide
CID 176602990
4-Ethyl-4-[3-(2-methylprop-1-enoxy)propyl]thiane 1-oxide
CID 176603005
3-Ethyl-3-[3-(2-methylprop-1-enoxy)propyl]thiolane 1-oxide
CID 176603008
4-[3-(Cyclohexylidenemethoxy)propyl]-4-ethylthiane 1-oxide
CID 176603053
3-[3-(Cyclohexylidenemethoxy)propyl]-3-ethylthiolane 1,1-dioxide
CID 176603077
4-[2-(Cyclopentylidenemethoxy)ethyl]-4-methylthiane 1,1-dioxide
CID 176603101

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopentylidenemethoxymethyl)-3-ethylthiane 1-oxide?
The IUPAC name of 3-(cyclopentylidenemethoxymethyl)-3-ethylthiane 1-oxide (CID 176603214) is 3-(cyclopentylidenemethoxymethyl)-3-ethylthiane 1-oxide.
What is the SMILES notation for 3-(cyclopentylidenemethoxymethyl)-3-ethylthiane 1-oxide?
The canonical SMILES for 3-(cyclopentylidenemethoxymethyl)-3-ethylthiane 1-oxide is CCC1(COC=C2CCCC2)CCCS(=O)C1.
What is the InChIKey of 3-(cyclopentylidenemethoxymethyl)-3-ethylthiane 1-oxide?
The InChIKey is CEBLZLBYEHMQII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2S/c1-2-14(8-5-9-17(15)12-14)11-16-10-13-6-3-4-7-13/h10H,2-9,11-12H2,1H3.
What are the key properties of 3-(cyclopentylidenemethoxymethyl)-3-ethylthiane 1-oxide?
3-(cyclopentylidenemethoxymethyl)-3-ethylthiane 1-oxide has a molecular weight of 256.41 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopentylidenemethoxymethyl)-3-ethylthiane 1-oxide is sourced from PubChem (CID 176603214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).