4-(ethenoxymethyl)thiane

C8H14OS — CID 176603153

IUPAC4-(ethenoxymethyl)thiane
SMILESC=COCC1CCSCC1
InChIInChI=1S/C8H14OS/c1-2-9-7-8-3-5-10-6-4-8/h2,8H,1,3-7H2
InChIKeyJFPXWBRYBSABDV-UHFFFAOYSA-N
MW158.27 g/mol
LogP2.29
Rot. Bonds3

About 4-(ethenoxymethyl)thiane

4-(ethenoxymethyl)thiane (PubChem CID 176603153) has the molecular formula C8H14OS and a molecular weight of 158.27 g/mol. Its IUPAC name is 4-(ethenoxymethyl)thiane.

Molecular Properties

Compound Name4-(ethenoxymethyl)thiane
PubChem CID176603153
Molecular FormulaC8H14OS
Molecular Weight158.27 g/mol
Exact Mass158.08
IUPAC Name4-(ethenoxymethyl)thiane
SMILESC=COCC1CCSCC1
InChIInChI=1S/C8H14OS/c1-2-9-7-8-3-5-10-6-4-8/h2,8H,1,3-7H2
InChIKeyJFPXWBRYBSABDV-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

1-(ethenoxymethyl)-4-(methoxymethyl)cyclohexane
CID 22917925
[4-(ethenoxymethyl)cyclohexyl]methyl formate
CID 139924900
[4-(ethenoxymethyl)cyclohexyl]methanol;hydrate
CID 89350942
4-(ethenoxymethyl)thiane 1-oxide
CID 176602942
2-[[4-(ethenoxymethyl)cyclohexyl]methyl]oxirane
CID 123807812
1,4-bis(2-ethenoxyethoxymethyl)cyclohexane
CID 71370153
[4-(ethenoxymethyl)cyclohexyl]methyl propanoate
CID 139924824
3-(ethenoxymethyl)-1-methylpiperidine
CID 122664385
4-[4-(ethenoxymethyl)cyclohexyl]-2-methylbut-2-enoic acid
CID 67281746
thian-4-ylmethyl acetate
CID 129067655
thian-4-ylmethyl 2-methylprop-2-enoate
CID 163835794
4-[4-(ethenoxymethyl)cyclohexyl]benzonitrile
CID 18651101

Frequently Asked Questions

What is the IUPAC name of 4-(ethenoxymethyl)thiane?
The IUPAC name of 4-(ethenoxymethyl)thiane (CID 176603153) is 4-(ethenoxymethyl)thiane.
What is the SMILES notation for 4-(ethenoxymethyl)thiane?
The canonical SMILES for 4-(ethenoxymethyl)thiane is C=COCC1CCSCC1.
What is the InChIKey of 4-(ethenoxymethyl)thiane?
The InChIKey is JFPXWBRYBSABDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14OS/c1-2-9-7-8-3-5-10-6-4-8/h2,8H,1,3-7H2.
What are the key properties of 4-(ethenoxymethyl)thiane?
4-(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 4-(ethenoxymethyl)thiane is sourced from PubChem (CID 176603153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).