2-(cyclopentylidenemethoxymethyl)-2-ethylthiirane

C11H18OS — CID 176603545

IUPAC2-(cyclopentylidenemethoxymethyl)-2-ethylthiirane
SMILESCCC1(COC=C2CCCC2)CS1
InChIInChI=1S/C11H18OS/c1-2-11(9-13-11)8-12-7-10-5-3-4-6-10/h7H,2-6,8-9H2,1H3
InChIKeyDOMMNOWOLPJKBE-UHFFFAOYSA-N
MW198.33 g/mol
LogP3.36
Rot. Bonds4

About 2-(cyclopentylidenemethoxymethyl)-2-ethylthiirane

2-(cyclopentylidenemethoxymethyl)-2-ethylthiirane (PubChem CID 176603545) has the molecular formula C11H18OS and a molecular weight of 198.33 g/mol. Its IUPAC name is 2-(cyclopentylidenemethoxymethyl)-2-ethylthiirane.

Molecular Properties

Compound Name2-(cyclopentylidenemethoxymethyl)-2-ethylthiirane
PubChem CID176603545
Molecular FormulaC11H18OS
Molecular Weight198.33 g/mol
Exact Mass198.11
IUPAC Name2-(cyclopentylidenemethoxymethyl)-2-ethylthiirane
SMILESCCC1(COC=C2CCCC2)CS1
InChIInChI=1S/C11H18OS/c1-2-11(9-13-11)8-12-7-10-5-3-4-6-10/h7H,2-6,8-9H2,1H3
InChIKeyDOMMNOWOLPJKBE-UHFFFAOYSA-N
XLogP3.36
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.33
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

2-(Cyclopentylidenemethoxymethyl)-2-methylthiirane
CID 176602916
2-[2-(Cyclopentylidenemethoxy)ethyl]-2-methylthiirane 1,1-dioxide
CID 176602931
2-(Cyclopentylidenemethoxymethyl)thiirane
CID 176603038
2-[3-(Cyclopentylidenemethoxy)propyl]thiirane 1-oxide
CID 176603130
3-[2-(Cyclopentylidenemethoxy)ethyl]-3-methylthietane
CID 176603303
2-[1-(Cyclopentylidenemethoxy)ethyl]thiirane
CID 176603355
2-(Cyclopentylidenemethoxymethyl)-2-ethyl-1,4-dithiane
CID 176603376
2-[2-(Cyclopentylidenemethoxy)ethyl]-2-methyl-1,4-dithiane
CID 176603396
2-[2-(Cyclohexylidenemethoxy)ethyl]-2-methylthiirane
CID 176603466
2-(Cyclohexylidenemethoxymethyl)-2-ethylthiirane
CID 176603687
2-[2-(Cyclopentylidenemethoxy)ethyl]-2-methylthiirane
CID 176603836
2-(Cyclopentylidenemethoxymethyl)-2-methylthiirane 1-oxide
CID 176604250

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylidenemethoxymethyl)-2-ethylthiirane?
The IUPAC name of 2-(cyclopentylidenemethoxymethyl)-2-ethylthiirane (CID 176603545) is 2-(cyclopentylidenemethoxymethyl)-2-ethylthiirane.
What is the SMILES notation for 2-(cyclopentylidenemethoxymethyl)-2-ethylthiirane?
The canonical SMILES for 2-(cyclopentylidenemethoxymethyl)-2-ethylthiirane is CCC1(COC=C2CCCC2)CS1.
What is the InChIKey of 2-(cyclopentylidenemethoxymethyl)-2-ethylthiirane?
The InChIKey is DOMMNOWOLPJKBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18OS/c1-2-11(9-13-11)8-12-7-10-5-3-4-6-10/h7H,2-6,8-9H2,1H3.
What are the key properties of 2-(cyclopentylidenemethoxymethyl)-2-ethylthiirane?
2-(cyclopentylidenemethoxymethyl)-2-ethylthiirane has a molecular weight of 198.33 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylidenemethoxymethyl)-2-ethylthiirane is sourced from PubChem (CID 176603545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).