2-(cyclopentylidenemethoxymethyl)-2-methylthiirane 1-oxide

C10H16O2S — CID 176604250

IUPAC2-(cyclopentylidenemethoxymethyl)-2-methylthiirane 1-oxide
SMILESCC1(COC=C2CCCC2)CS1=O
InChIInChI=1S/C10H16O2S/c1-10(8-13(10)11)7-12-6-9-4-2-3-5-9/h6H,2-5,7-8H2,1H3
InChIKeyPREQVENDJXINGJ-UHFFFAOYSA-N
MW200.30 g/mol
LogP1.98
Rot. Bonds3

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

2-(cyclopentylidenemethoxymethyl)-2-methylthiirane 1-oxide (PubChem CID 176604250) has the molecular formula C10H16O2S and a molecular weight of 200.30 g/mol. Its IUPAC name is 2-(cyclopentylidenemethoxymethyl)-2-methylthiirane 1-oxide.

Molecular Properties

Compound Name2-(cyclopentylidenemethoxymethyl)-2-methylthiirane 1-oxide
PubChem CID176604250
Molecular FormulaC10H16O2S
Molecular Weight200.30 g/mol
Exact Mass200.09
IUPAC Name2-(cyclopentylidenemethoxymethyl)-2-methylthiirane 1-oxide
SMILESCC1(COC=C2CCCC2)CS1=O
InChIInChI=1S/C10H16O2S/c1-10(8-13(10)11)7-12-6-9-4-2-3-5-9/h6H,2-5,7-8H2,1H3
InChIKeyPREQVENDJXINGJ-UHFFFAOYSA-N
XLogP1.98
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.30
LogP ≤ 51.98
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-[2-(Cyclopentylidenemethoxy)ethyl]thiirane 1,1-dioxide
CID 176603082
2-[3-(Cyclopentylidenemethoxy)propyl]thiirane 1-oxide
CID 176603130
2-[1-(Cyclopentylidenemethoxy)ethyl]thiirane 1,1-dioxide
CID 176603256
2-[1-(Cyclopentylidenemethoxy)ethyl]thiirane
CID 176603355
2-(Cyclopentylidenemethoxymethyl)thiirane 1,1-dioxide
CID 176603368
2-(Cyclohexylidenemethoxymethyl)-2-methylthiirane 1,1-dioxide
CID 176603476
2-(Cyclopentylidenemethoxymethyl)-2-ethylthiirane
CID 176603545
3-(Cyclopentylidenemethoxymethyl)-3-methylthietane 1-oxide
CID 176603593
2-(Cyclopentylidenemethoxymethyl)thiirane 1-oxide
CID 176603763

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylidenemethoxymethyl)-2-methylthiirane 1-oxide?
The IUPAC name of 2-(cyclopentylidenemethoxymethyl)-2-methylthiirane 1-oxide (CID 176604250) is 2-(cyclopentylidenemethoxymethyl)-2-methylthiirane 1-oxide.
What is the SMILES notation for 2-(cyclopentylidenemethoxymethyl)-2-methylthiirane 1-oxide?
The canonical SMILES for 2-(cyclopentylidenemethoxymethyl)-2-methylthiirane 1-oxide is CC1(COC=C2CCCC2)CS1=O.
What is the InChIKey of 2-(cyclopentylidenemethoxymethyl)-2-methylthiirane 1-oxide?
The InChIKey is PREQVENDJXINGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2S/c1-10(8-13(10)11)7-12-6-9-4-2-3-5-9/h6H,2-5,7-8H2,1H3.
What are the key properties of 2-(cyclopentylidenemethoxymethyl)-2-methylthiirane 1-oxide?
2-(cyclopentylidenemethoxymethyl)-2-methylthiirane 1-oxide has a molecular weight of 200.30 g/mol, XLogP of 1.98, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylidenemethoxymethyl)-2-methylthiirane 1-oxide is sourced from PubChem (CID 176604250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).