3-[3-(cyclopentylidenemethoxy)propyl]thietane

C12H20OS — CID 176604780

IUPAC3-[3-(cyclopentylidenemethoxy)propyl]thietane
SMILESC(OCCCC1CSC1)=C1CCCC1
InChIInChI=1S/C12H20OS/c1-2-5-11(4-1)8-13-7-3-6-12-9-14-10-12/h8,12H,1-7,9-10H2
InChIKeyXLOMFPOYEORWIC-UHFFFAOYSA-N
MW212.36 g/mol
LogP3.60
Rot. Bonds5

About 3-[3-(cyclopentylidenemethoxy)propyl]thietane

3-[3-(cyclopentylidenemethoxy)propyl]thietane (PubChem CID 176604780) has the molecular formula C12H20OS and a molecular weight of 212.36 g/mol. Its IUPAC name is 3-[3-(cyclopentylidenemethoxy)propyl]thietane.

Molecular Properties

Compound Name3-[3-(cyclopentylidenemethoxy)propyl]thietane
PubChem CID176604780
Molecular FormulaC12H20OS
Molecular Weight212.36 g/mol
Exact Mass212.12
IUPAC Name3-[3-(cyclopentylidenemethoxy)propyl]thietane
SMILESC(OCCCC1CSC1)=C1CCCC1
InChIInChI=1S/C12H20OS/c1-2-5-11(4-1)8-13-7-3-6-12-9-14-10-12/h8,12H,1-7,9-10H2
InChIKeyXLOMFPOYEORWIC-UHFFFAOYSA-N
XLogP3.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.36
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(Cyclopentylidenemethoxy)ethyl]thietane 1-oxide
CID 176603042
3-[3-(Cyclopentylidenemethoxy)propyl]thietane 1,1-dioxide
CID 176603297
3-[2-(Cyclopentylidenemethoxy)ethyl]-3-methylthietane
CID 176603303
3-[3-(Cyclohexylidenemethoxy)propyl]thietane
CID 176603362
4-[2-(Cyclopentylidenemethoxy)ethyl]thiane
CID 176603516
3-[1-(Cyclopentylidenemethoxy)ethyl]thietane
CID 176603599
3-[2-(Cyclohexylidenemethoxy)ethyl]thietane
CID 176603629
3-(Cyclopentylidenemethoxymethyl)-3-methylthietane
CID 176603708
3-[3-(Cyclopentylidenemethoxy)propyl]-3-ethylthietane
CID 176603855
3-(Cyclopentylidenemethoxymethyl)thietane
CID 176603861
3-[3-(2-Methylprop-1-enoxy)propyl]thietane
CID 176604248
3-[2-(Cyclopentylidenemethoxy)ethyl]thiolane
CID 176604273

Frequently Asked Questions

What is the IUPAC name of 3-[3-(cyclopentylidenemethoxy)propyl]thietane?
The IUPAC name of 3-[3-(cyclopentylidenemethoxy)propyl]thietane (CID 176604780) is 3-[3-(cyclopentylidenemethoxy)propyl]thietane.
What is the SMILES notation for 3-[3-(cyclopentylidenemethoxy)propyl]thietane?
The canonical SMILES for 3-[3-(cyclopentylidenemethoxy)propyl]thietane is C(OCCCC1CSC1)=C1CCCC1.
What is the InChIKey of 3-[3-(cyclopentylidenemethoxy)propyl]thietane?
The InChIKey is XLOMFPOYEORWIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20OS/c1-2-5-11(4-1)8-13-7-3-6-12-9-14-10-12/h8,12H,1-7,9-10H2.
What are the key properties of 3-[3-(cyclopentylidenemethoxy)propyl]thietane?
3-[3-(cyclopentylidenemethoxy)propyl]thietane has a molecular weight of 212.36 g/mol, XLogP of 3.60, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(cyclopentylidenemethoxy)propyl]thietane is sourced from PubChem (CID 176604780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).