2-(cyclopentylidenemethoxymethyl)-2-ethylthiirane 1-oxide

C11H18O2S — CID 176604652

IUPAC2-(cyclopentylidenemethoxymethyl)-2-ethylthiirane 1-oxide
SMILESCCC1(COC=C2CCCC2)CS1=O
InChIInChI=1S/C11H18O2S/c1-2-11(9-14(11)12)8-13-7-10-5-3-4-6-10/h7H,2-6,8-9H2,1H3
InChIKeyCEJHJPKWIWEYNC-UHFFFAOYSA-N
MW214.33 g/mol
LogP2.37
Rot. Bonds4

About 2-(cyclopentylidenemethoxymethyl)-2-ethylthiirane 1-oxide

2-(cyclopentylidenemethoxymethyl)-2-ethylthiirane 1-oxide (PubChem CID 176604652) has the molecular formula C11H18O2S and a molecular weight of 214.33 g/mol. Its IUPAC name is 2-(cyclopentylidenemethoxymethyl)-2-ethylthiirane 1-oxide.

Molecular Properties

Compound Name2-(cyclopentylidenemethoxymethyl)-2-ethylthiirane 1-oxide
PubChem CID176604652
Molecular FormulaC11H18O2S
Molecular Weight214.33 g/mol
Exact Mass214.10
IUPAC Name2-(cyclopentylidenemethoxymethyl)-2-ethylthiirane 1-oxide
SMILESCCC1(COC=C2CCCC2)CS1=O
InChIInChI=1S/C11H18O2S/c1-2-11(9-14(11)12)8-13-7-10-5-3-4-6-10/h7H,2-6,8-9H2,1H3
InChIKeyCEJHJPKWIWEYNC-UHFFFAOYSA-N
XLogP2.37
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 52.37
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
3-[2-(Cyclopentylidenemethoxy)ethyl]thietane 1-oxide
CID 176603042
2-[2-(Cyclopentylidenemethoxy)ethyl]thiirane 1,1-dioxide
CID 176603082
2-[3-(Cyclopentylidenemethoxy)propyl]thiirane 1-oxide
CID 176603130
2-[3-(Cyclopentylidenemethoxy)propyl]-2-ethylthiirane 1,1-dioxide
CID 176603183
2-[2-(Cyclopentylidenemethoxy)ethyl]-2-methyl-1,4-dithiane 1,4-dioxide
CID 176603226
2-[1-(Cyclopentylidenemethoxy)ethyl]thiirane 1,1-dioxide
CID 176603256
3-[2-(Cyclopentylidenemethoxy)ethyl]-3-methylthietane 1-oxide
CID 176603276
2-(Cyclopentylidenemethoxymethyl)thiirane 1,1-dioxide
CID 176603368
2-Methyl-2-[2-(2-methylprop-1-enoxy)ethyl]thiirane 1-oxide
CID 176603493
2-(Cyclopentylidenemethoxymethyl)-2-ethylthiirane
CID 176603545

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylidenemethoxymethyl)-2-ethylthiirane 1-oxide?
The IUPAC name of 2-(cyclopentylidenemethoxymethyl)-2-ethylthiirane 1-oxide (CID 176604652) is 2-(cyclopentylidenemethoxymethyl)-2-ethylthiirane 1-oxide.
What is the SMILES notation for 2-(cyclopentylidenemethoxymethyl)-2-ethylthiirane 1-oxide?
The canonical SMILES for 2-(cyclopentylidenemethoxymethyl)-2-ethylthiirane 1-oxide is CCC1(COC=C2CCCC2)CS1=O.
What is the InChIKey of 2-(cyclopentylidenemethoxymethyl)-2-ethylthiirane 1-oxide?
The InChIKey is CEJHJPKWIWEYNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2S/c1-2-11(9-14(11)12)8-13-7-10-5-3-4-6-10/h7H,2-6,8-9H2,1H3.
What are the key properties of 2-(cyclopentylidenemethoxymethyl)-2-ethylthiirane 1-oxide?
2-(cyclopentylidenemethoxymethyl)-2-ethylthiirane 1-oxide has a molecular weight of 214.33 g/mol, XLogP of 2.37, 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 1-oxide is sourced from PubChem (CID 176604652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).