2-(cyclopentylidenemethoxymethyl)-2-methylthiirane

C10H16OS — CID 176602916

IUPAC2-(cyclopentylidenemethoxymethyl)-2-methylthiirane
SMILESCC1(COC=C2CCCC2)CS1
InChIInChI=1S/C10H16OS/c1-10(8-12-10)7-11-6-9-4-2-3-5-9/h6H,2-5,7-8H2,1H3
InChIKeyOXJILMLPHUYRMA-UHFFFAOYSA-N
MW184.30 g/mol
LogP2.97
Rot. Bonds3

About 2-(cyclopentylidenemethoxymethyl)-2-methylthiirane

2-(cyclopentylidenemethoxymethyl)-2-methylthiirane (PubChem CID 176602916) has the molecular formula C10H16OS and a molecular weight of 184.30 g/mol. Its IUPAC name is 2-(cyclopentylidenemethoxymethyl)-2-methylthiirane.

Molecular Properties

Compound Name2-(cyclopentylidenemethoxymethyl)-2-methylthiirane
PubChem CID176602916
Molecular FormulaC10H16OS
Molecular Weight184.30 g/mol
Exact Mass184.09
IUPAC Name2-(cyclopentylidenemethoxymethyl)-2-methylthiirane
SMILESCC1(COC=C2CCCC2)CS1
InChIInChI=1S/C10H16OS/c1-10(8-12-10)7-11-6-9-4-2-3-5-9/h6H,2-5,7-8H2,1H3
InChIKeyOXJILMLPHUYRMA-UHFFFAOYSA-N
XLogP2.97
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.30
LogP ≤ 52.97
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-(Cyclohexylidenemethoxymethyl)-2-methylthiirane
CID 176602948
2-(Cyclopentylidenemethoxymethyl)thiirane
CID 176603038
2-[1-(Cyclopentylidenemethoxy)ethyl]thiirane
CID 176603355
2-(Cyclopentylidenemethoxymethyl)-2-ethylthiirane
CID 176603545
3-(Cyclopentylidenemethoxymethyl)-3-methylthietane
CID 176603708
2-(Cyclopentylidenemethoxymethyl)thiirane 1-oxide
CID 176603763
2-[2-(Cyclopentylidenemethoxy)ethyl]-2-methylthiirane
CID 176603836
2-(Cyclopentylidenemethoxymethyl)-2-methylthiirane 1,1-dioxide
CID 176603990
2-(Cyclopentylidenemethoxymethyl)-2-methylthiirane 1-oxide
CID 176604250
2-[3-(Cyclopentylidenemethoxy)propyl]thiirane
CID 176604591
2-(Cyclopentylidenemethoxymethyl)-2-ethylthiirane 1-oxide
CID 176604652
2-[2-(Cyclopentylidenemethoxy)ethyl]-2-methylthiirane 1-oxide
CID 176605208

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylidenemethoxymethyl)-2-methylthiirane?
The IUPAC name of 2-(cyclopentylidenemethoxymethyl)-2-methylthiirane (CID 176602916) is 2-(cyclopentylidenemethoxymethyl)-2-methylthiirane.
What is the SMILES notation for 2-(cyclopentylidenemethoxymethyl)-2-methylthiirane?
The canonical SMILES for 2-(cyclopentylidenemethoxymethyl)-2-methylthiirane is CC1(COC=C2CCCC2)CS1.
What is the InChIKey of 2-(cyclopentylidenemethoxymethyl)-2-methylthiirane?
The InChIKey is OXJILMLPHUYRMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16OS/c1-10(8-12-10)7-11-6-9-4-2-3-5-9/h6H,2-5,7-8H2,1H3.
What are the key properties of 2-(cyclopentylidenemethoxymethyl)-2-methylthiirane?
2-(cyclopentylidenemethoxymethyl)-2-methylthiirane has a molecular weight of 184.30 g/mol, XLogP of 2.97, 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 is sourced from PubChem (CID 176602916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).