3-(ethenoxymethyl)-3-ethylthiolane

C9H16OS — CID 176605010

IUPAC3-(ethenoxymethyl)-3-ethylthiolane
SMILESC=COCC1(CC)CCSC1
InChIInChI=1S/C9H16OS/c1-3-9(7-10-4-2)5-6-11-8-9/h4H,2-3,5-8H2,1H3
InChIKeyMISDYBYWNXCEDM-UHFFFAOYSA-N
MW172.29 g/mol
LogP2.68
Rot. Bonds4

About 3-(ethenoxymethyl)-3-ethylthiolane

3-(ethenoxymethyl)-3-ethylthiolane (PubChem CID 176605010) has the molecular formula C9H16OS and a molecular weight of 172.29 g/mol. Its IUPAC name is 3-(ethenoxymethyl)-3-ethylthiolane.

Molecular Properties

Compound Name3-(ethenoxymethyl)-3-ethylthiolane
PubChem CID176605010
Molecular FormulaC9H16OS
Molecular Weight172.29 g/mol
Exact Mass172.09
IUPAC Name3-(ethenoxymethyl)-3-ethylthiolane
SMILESC=COCC1(CC)CCSC1
InChIInChI=1S/C9H16OS/c1-3-9(7-10-4-2)5-6-11-8-9/h4H,2-3,5-8H2,1H3
InChIKeyMISDYBYWNXCEDM-UHFFFAOYSA-N
XLogP2.68
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.29
LogP ≤ 52.68
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

2-(2-Ethenoxyethyl)-2-methylthiolane
CID 176603234
4-(Ethenoxymethyl)-4-ethylthiane
CID 176603389
3-ethyl-3-[[(E)-prop-1-enoxy]methyl]thiolane
CID 176603474
3-(Ethenoxymethyl)-3-methylthiolane
CID 176603517
4-(Ethenoxymethyl)-4-methylthiane
CID 176603770
2-(Ethenoxymethyl)-2-ethylthiolane
CID 176603785
3-methyl-3-[2-[(E)-prop-1-enoxy]ethyl]thiolane
CID 176603814
3-(Ethenoxymethyl)-3-ethylthiolane 1-oxide
CID 176604013
3-(2-Ethenoxyethyl)thiolane
CID 176604092
3-(2-Ethenoxyethyl)-3-methylthiolane
CID 176604336
3-(2-Ethenoxyethyl)-3-methylthiolane 1-oxide
CID 176604486
3-(1-Ethenoxyethyl)thiolane
CID 176604613

Frequently Asked Questions

What is the IUPAC name of 3-(ethenoxymethyl)-3-ethylthiolane?
The IUPAC name of 3-(ethenoxymethyl)-3-ethylthiolane (CID 176605010) is 3-(ethenoxymethyl)-3-ethylthiolane.
What is the SMILES notation for 3-(ethenoxymethyl)-3-ethylthiolane?
The canonical SMILES for 3-(ethenoxymethyl)-3-ethylthiolane is C=COCC1(CC)CCSC1.
What is the InChIKey of 3-(ethenoxymethyl)-3-ethylthiolane?
The InChIKey is MISDYBYWNXCEDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16OS/c1-3-9(7-10-4-2)5-6-11-8-9/h4H,2-3,5-8H2,1H3.
What are the key properties of 3-(ethenoxymethyl)-3-ethylthiolane?
3-(ethenoxymethyl)-3-ethylthiolane has a molecular weight of 172.29 g/mol, XLogP of 2.68, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethenoxymethyl)-3-ethylthiolane is sourced from PubChem (CID 176605010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).