3-(ethenoxymethyl)thiane

C8H14OS — CID 176602945

IUPAC3-(ethenoxymethyl)thiane
SMILESC=COCC1CCCSC1
InChIInChI=1S/C8H14OS/c1-2-9-6-8-4-3-5-10-7-8/h2,8H,1,3-7H2
InChIKeyRBXLDPRJGQKNRN-UHFFFAOYSA-N
MW158.27 g/mol
LogP2.29
Rot. Bonds3

About 3-(ethenoxymethyl)thiane

3-(ethenoxymethyl)thiane (PubChem CID 176602945) has the molecular formula C8H14OS and a molecular weight of 158.27 g/mol. Its IUPAC name is 3-(ethenoxymethyl)thiane.

Molecular Properties

Compound Name3-(ethenoxymethyl)thiane
PubChem CID176602945
Molecular FormulaC8H14OS
Molecular Weight158.27 g/mol
Exact Mass158.08
IUPAC Name3-(ethenoxymethyl)thiane
SMILESC=COCC1CCCSC1
InChIInChI=1S/C8H14OS/c1-2-9-6-8-4-3-5-10-7-8/h2,8H,1,3-7H2
InChIKeyRBXLDPRJGQKNRN-UHFFFAOYSA-N
XLogP2.29
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 ≤ 52.29
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-[[(E)-prop-1-enoxy]methyl]thiane
CID 176603022
4-(Ethenoxymethyl)thiane
CID 176603153
3-(3-Ethenoxypropyl)thietane
CID 176603940
3-(2-Ethenoxyethyl)thiolane
CID 176604092
2-(Ethenoxymethyl)-2-methylthiane
CID 176604457
3-(Ethenoxymethyl)-3-methylthiane
CID 176604505
4-(3-Ethenoxypropyl)thiane
CID 176604655
3-(Ethenoxymethyl)thiane 1-oxide
CID 176604673
4-(2-Ethenoxyethyl)thiane
CID 176605067
3-(Ethenoxymethyl)thiane 1,1-dioxide
CID 176605108
3-(1-Ethenoxyethyl)thiane
CID 176605136
2-(Ethenoxymethyl)-2-methylthiolane
CID 176605177

Frequently Asked Questions

What is the IUPAC name of 3-(ethenoxymethyl)thiane?
The IUPAC name of 3-(ethenoxymethyl)thiane (CID 176602945) is 3-(ethenoxymethyl)thiane.
What is the SMILES notation for 3-(ethenoxymethyl)thiane?
The canonical SMILES for 3-(ethenoxymethyl)thiane is C=COCC1CCCSC1.
What is the InChIKey of 3-(ethenoxymethyl)thiane?
The InChIKey is RBXLDPRJGQKNRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14OS/c1-2-9-6-8-4-3-5-10-7-8/h2,8H,1,3-7H2.
What are the key properties of 3-(ethenoxymethyl)thiane?
3-(ethenoxymethyl)thiane has a molecular weight of 158.27 g/mol, XLogP of 2.29, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethenoxymethyl)thiane is sourced from PubChem (CID 176602945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).