3-(cyclopentylidenemethoxymethyl)thietane

C10H16OS — CID 176603861

IUPAC3-(cyclopentylidenemethoxymethyl)thietane
SMILESC(OCC1CSC1)=C1CCCC1
InChIInChI=1S/C10H16OS/c1-2-4-9(3-1)5-11-6-10-7-12-8-10/h5,10H,1-4,6-8H2
InChIKeyNFYIJQIXRYCHHU-UHFFFAOYSA-N
MW184.30 g/mol
LogP2.82
Rot. Bonds3

About 3-(cyclopentylidenemethoxymethyl)thietane

3-(cyclopentylidenemethoxymethyl)thietane (PubChem CID 176603861) has the molecular formula C10H16OS and a molecular weight of 184.30 g/mol. Its IUPAC name is 3-(cyclopentylidenemethoxymethyl)thietane.

Molecular Properties

Compound Name3-(cyclopentylidenemethoxymethyl)thietane
PubChem CID176603861
Molecular FormulaC10H16OS
Molecular Weight184.30 g/mol
Exact Mass184.09
IUPAC Name3-(cyclopentylidenemethoxymethyl)thietane
SMILESC(OCC1CSC1)=C1CCCC1
InChIInChI=1S/C10H16OS/c1-2-4-9(3-1)5-11-6-10-7-12-8-10/h5,10H,1-4,6-8H2
InChIKeyNFYIJQIXRYCHHU-UHFFFAOYSA-N
XLogP2.82
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 ≤ 52.82
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-[2-(Cyclopentylidenemethoxy)ethyl]thietane 1-oxide
CID 176603042
3-(Cyclopentylidenemethoxymethyl)thietane 1,1-dioxide
CID 176603060
3-[2-(Cyclopentylidenemethoxy)ethyl]-3-methylthietane
CID 176603303
3-(Cyclopentylidenemethoxymethyl)-3-methylthietane 1-oxide
CID 176603593
3-[1-(Cyclopentylidenemethoxy)ethyl]thietane
CID 176603599
3-(Cyclopentylidenemethoxymethyl)-3-methylthietane
CID 176603708
3-(Cyclopentylidenemethoxymethyl)-3-ethylthietane
CID 176604400
3-[3-(Cyclopentylidenemethoxy)propyl]thietane
CID 176604780
3-(Cyclohexylidenemethoxymethyl)thietane
CID 176605094
3-[2-(Cyclopentylidenemethoxy)ethyl]thietane
CID 176605101
3-(Cyclopentylidenemethoxymethyl)thietane 1-oxide
CID 176605214
2-[2-(Cyclopentylidenemethoxy)ethyl]thiirane
CID 176605382

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopentylidenemethoxymethyl)thietane?
The IUPAC name of 3-(cyclopentylidenemethoxymethyl)thietane (CID 176603861) is 3-(cyclopentylidenemethoxymethyl)thietane.
What is the SMILES notation for 3-(cyclopentylidenemethoxymethyl)thietane?
The canonical SMILES for 3-(cyclopentylidenemethoxymethyl)thietane is C(OCC1CSC1)=C1CCCC1.
What is the InChIKey of 3-(cyclopentylidenemethoxymethyl)thietane?
The InChIKey is NFYIJQIXRYCHHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16OS/c1-2-4-9(3-1)5-11-6-10-7-12-8-10/h5,10H,1-4,6-8H2.
What are the key properties of 3-(cyclopentylidenemethoxymethyl)thietane?
3-(cyclopentylidenemethoxymethyl)thietane has a molecular weight of 184.30 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopentylidenemethoxymethyl)thietane is sourced from PubChem (CID 176603861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).