2-(ethenoxymethyl)-2-ethylthiolane

C9H16OS — CID 176603785

IUPAC2-(ethenoxymethyl)-2-ethylthiolane
SMILESC=COCC1(CC)CCCS1
InChIInChI=1S/C9H16OS/c1-3-9(8-10-4-2)6-5-7-11-9/h4H,2-3,5-8H2,1H3
InChIKeyYCQISNOSUZUMOZ-UHFFFAOYSA-N
MW172.29 g/mol
LogP2.82
Rot. Bonds4

About 2-(ethenoxymethyl)-2-ethylthiolane

2-(ethenoxymethyl)-2-ethylthiolane (PubChem CID 176603785) has the molecular formula C9H16OS and a molecular weight of 172.29 g/mol. Its IUPAC name is 2-(ethenoxymethyl)-2-ethylthiolane.

Molecular Properties

Compound Name2-(ethenoxymethyl)-2-ethylthiolane
PubChem CID176603785
Molecular FormulaC9H16OS
Molecular Weight172.29 g/mol
Exact Mass172.09
IUPAC Name2-(ethenoxymethyl)-2-ethylthiolane
SMILESC=COCC1(CC)CCCS1
InChIInChI=1S/C9H16OS/c1-3-9(8-10-4-2)6-5-7-11-9/h4H,2-3,5-8H2,1H3
InChIKeyYCQISNOSUZUMOZ-UHFFFAOYSA-N
XLogP2.82
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 ≤ 52.82
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-ethyl-3-[3-[(E)-prop-1-enoxy]propyl]thiolane
CID 176602987
2-(3-Ethenoxypropyl)-2-ethylthiolane 1-oxide
CID 176603096
2-(Ethenoxymethyl)-2-ethylthiane
CID 176603135
2-(3-Ethenoxypropyl)-2-ethyl-1,4-dithiane
CID 176603224
2-(2-Ethenoxyethyl)-2-methylthiolane
CID 176603234
2-methyl-2-[[(E)-prop-1-enoxy]methyl]thiolane
CID 176603272
3-(Ethenoxymethyl)-3-ethylthiane
CID 176603344
2-Ethyl-2-(2-methylprop-1-enoxymethyl)thiolane
CID 176603475
2-ethyl-2-[3-[(E)-prop-1-enoxy]propyl]thiolane
CID 176603535
2-(Ethenoxymethyl)-2-ethylthiolane 1-oxide
CID 176603638
2-(2-Ethenoxyethyl)-2-methylthiolane 1,1-dioxide
CID 176603800
3-(2-Ethenoxyethyl)thiolane
CID 176604092

Frequently Asked Questions

What is the IUPAC name of 2-(ethenoxymethyl)-2-ethylthiolane?
The IUPAC name of 2-(ethenoxymethyl)-2-ethylthiolane (CID 176603785) is 2-(ethenoxymethyl)-2-ethylthiolane.
What is the SMILES notation for 2-(ethenoxymethyl)-2-ethylthiolane?
The canonical SMILES for 2-(ethenoxymethyl)-2-ethylthiolane is C=COCC1(CC)CCCS1.
What is the InChIKey of 2-(ethenoxymethyl)-2-ethylthiolane?
The InChIKey is YCQISNOSUZUMOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16OS/c1-3-9(8-10-4-2)6-5-7-11-9/h4H,2-3,5-8H2,1H3.
What are the key properties of 2-(ethenoxymethyl)-2-ethylthiolane?
2-(ethenoxymethyl)-2-ethylthiolane has a molecular weight of 172.29 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethenoxymethyl)-2-ethylthiolane is sourced from PubChem (CID 176603785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).