3-(ethenoxymethyl)-3-ethylthietane

C8H14OS — CID 176604120

IUPAC3-(ethenoxymethyl)-3-ethylthietane
SMILESC=COCC1(CC)CSC1
InChIInChI=1S/C8H14OS/c1-3-8(5-9-4-2)6-10-7-8/h4H,2-3,5-7H2,1H3
InChIKeyJDWWZAACZIZFQO-UHFFFAOYSA-N
MW158.27 g/mol
LogP2.29
Rot. Bonds4

About 3-(ethenoxymethyl)-3-ethylthietane

3-(ethenoxymethyl)-3-ethylthietane (PubChem CID 176604120) has the molecular formula C8H14OS and a molecular weight of 158.27 g/mol. Its IUPAC name is 3-(ethenoxymethyl)-3-ethylthietane.

Molecular Properties

Compound Name3-(ethenoxymethyl)-3-ethylthietane
PubChem CID176604120
Molecular FormulaC8H14OS
Molecular Weight158.27 g/mol
Exact Mass158.08
IUPAC Name3-(ethenoxymethyl)-3-ethylthietane
SMILESC=COCC1(CC)CSC1
InChIInChI=1S/C8H14OS/c1-3-8(5-9-4-2)6-10-7-8/h4H,2-3,5-7H2,1H3
InChIKeyJDWWZAACZIZFQO-UHFFFAOYSA-N
XLogP2.29
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
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'}

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Related Compounds

3-Ethyl-3-allylthiomethyloxetane
CID 19376852
3-Ethyl-3-(methylsulfanylmethyl)oxetane
CID 154620411
3-(2-Ethenoxyethyl)-3-methylthietane 1,1-dioxide
CID 176603134
3-(2-Ethenoxyethyl)-3-methylthietane 1-oxide
CID 176603281
3-(Ethenoxymethyl)-3-ethylthietane 1,1-dioxide
CID 176603487
3-(Ethenoxymethyl)-3-methylthiolane
CID 176603517
3-ethyl-3-[[(E)-prop-1-enoxy]methyl]thietane
CID 176603642
3-Ethyl-3-(2-methylprop-1-enoxymethyl)thietane
CID 176604508
3-(2-Ethenoxyethyl)thietane
CID 176604624
3-(Ethenoxymethyl)-3-ethylthietane 1-oxide
CID 176604635
3-methyl-3-[2-[(E)-prop-1-enoxy]ethyl]thietane
CID 176604760
3-(2-Ethenoxyethyl)-3-methylthietane
CID 176604958

Frequently Asked Questions

What is the IUPAC name of 3-(ethenoxymethyl)-3-ethylthietane?
The IUPAC name of 3-(ethenoxymethyl)-3-ethylthietane (CID 176604120) is 3-(ethenoxymethyl)-3-ethylthietane.
What is the SMILES notation for 3-(ethenoxymethyl)-3-ethylthietane?
The canonical SMILES for 3-(ethenoxymethyl)-3-ethylthietane is C=COCC1(CC)CSC1.
What is the InChIKey of 3-(ethenoxymethyl)-3-ethylthietane?
The InChIKey is JDWWZAACZIZFQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14OS/c1-3-8(5-9-4-2)6-10-7-8/h4H,2-3,5-7H2,1H3.
What are the key properties of 3-(ethenoxymethyl)-3-ethylthietane?
3-(ethenoxymethyl)-3-ethylthietane has a molecular weight of 158.27 g/mol, XLogP of 2.29, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethenoxymethyl)-3-ethylthietane is sourced from PubChem (CID 176604120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).