3-(3-ethenoxypropyl)thietane

C8H14OS — CID 176603940

IUPAC3-(3-ethenoxypropyl)thietane
SMILESC=COCCCC1CSC1
InChIInChI=1S/C8H14OS/c1-2-9-5-3-4-8-6-10-7-8/h2,8H,1,3-7H2
InChIKeyBOXYPIIOZDAICV-UHFFFAOYSA-N
MW158.27 g/mol
LogP2.29
Rot. Bonds5

About 3-(3-ethenoxypropyl)thietane

3-(3-ethenoxypropyl)thietane (PubChem CID 176603940) has the molecular formula C8H14OS and a molecular weight of 158.27 g/mol. Its IUPAC name is 3-(3-ethenoxypropyl)thietane.

Molecular Properties

Compound Name3-(3-ethenoxypropyl)thietane
PubChem CID176603940
Molecular FormulaC8H14OS
Molecular Weight158.27 g/mol
Exact Mass158.08
IUPAC Name3-(3-ethenoxypropyl)thietane
SMILESC=COCCCC1CSC1
InChIInChI=1S/C8H14OS/c1-2-9-5-3-4-8-6-10-7-8/h2,8H,1,3-7H2
InChIKeyBOXYPIIOZDAICV-UHFFFAOYSA-N
XLogP2.29
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.27
LogP ≤ 52.29
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-(Ethenoxymethyl)thiane
CID 176602945
3-[3-[(E)-prop-1-enoxy]propyl]thietane
CID 176603734
3-(3-Ethenoxypropyl)thietane 1,1-dioxide
CID 176603882
3-(3-Ethenoxypropyl)thietane 1-oxide
CID 176604298
3-(2-Ethenoxyethyl)thietane
CID 176604624

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethenoxypropyl)thietane?
The IUPAC name of 3-(3-ethenoxypropyl)thietane (CID 176603940) is 3-(3-ethenoxypropyl)thietane.
What is the SMILES notation for 3-(3-ethenoxypropyl)thietane?
The canonical SMILES for 3-(3-ethenoxypropyl)thietane is C=COCCCC1CSC1.
What is the InChIKey of 3-(3-ethenoxypropyl)thietane?
The InChIKey is BOXYPIIOZDAICV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14OS/c1-2-9-5-3-4-8-6-10-7-8/h2,8H,1,3-7H2.
What are the key properties of 3-(3-ethenoxypropyl)thietane?
3-(3-ethenoxypropyl)thietane has a molecular weight of 158.27 g/mol, XLogP of 2.29, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethenoxypropyl)thietane is sourced from PubChem (CID 176603940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).