2-(ethenoxymethyl)thiane

C8H14OS — CID 176604896

IUPAC2-(ethenoxymethyl)thiane
SMILESC=COCC1CCCCS1
InChIInChI=1S/C8H14OS/c1-2-9-7-8-5-3-4-6-10-8/h2,8H,1,3-7H2
InChIKeyDZMJGPUMLWFGMM-UHFFFAOYSA-N
MW158.27 g/mol
LogP2.43
Rot. Bonds3

About 2-(ethenoxymethyl)thiane

2-(ethenoxymethyl)thiane (PubChem CID 176604896) has the molecular formula C8H14OS and a molecular weight of 158.27 g/mol. Its IUPAC name is 2-(ethenoxymethyl)thiane.

Molecular Properties

Compound Name2-(ethenoxymethyl)thiane
PubChem CID176604896
Molecular FormulaC8H14OS
Molecular Weight158.27 g/mol
Exact Mass158.08
IUPAC Name2-(ethenoxymethyl)thiane
SMILESC=COCC1CCCCS1
InChIInChI=1S/C8H14OS/c1-2-9-7-8-5-3-4-6-10-8/h2,8H,1,3-7H2
InChIKeyDZMJGPUMLWFGMM-UHFFFAOYSA-N
XLogP2.43
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.27
LogP ≤ 52.43
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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Frequently Asked Questions

What is the IUPAC name of 2-(ethenoxymethyl)thiane?
The IUPAC name of 2-(ethenoxymethyl)thiane (CID 176604896) is 2-(ethenoxymethyl)thiane.
What is the SMILES notation for 2-(ethenoxymethyl)thiane?
The canonical SMILES for 2-(ethenoxymethyl)thiane is C=COCC1CCCCS1.
What is the InChIKey of 2-(ethenoxymethyl)thiane?
The InChIKey is DZMJGPUMLWFGMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14OS/c1-2-9-7-8-5-3-4-6-10-8/h2,8H,1,3-7H2.
What are the key properties of 2-(ethenoxymethyl)thiane?
2-(ethenoxymethyl)thiane has a molecular weight of 158.27 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethenoxymethyl)thiane is sourced from PubChem (CID 176604896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).