4-(ethenoxymethyl)thiane 1-oxide

C8H14O2S — CID 176602942

IUPAC4-(ethenoxymethyl)thiane 1-oxide
SMILESC=COCC1CCS(=O)CC1
InChIInChI=1S/C8H14O2S/c1-2-10-7-8-3-5-11(9)6-4-8/h2,8H,1,3-7H2
InChIKeyZHNKMKIWMJGHRC-UHFFFAOYSA-N
MW174.26 g/mol
LogP1.31
Rot. Bonds3

About 4-(ethenoxymethyl)thiane 1-oxide

4-(ethenoxymethyl)thiane 1-oxide (PubChem CID 176602942) has the molecular formula C8H14O2S and a molecular weight of 174.26 g/mol. Its IUPAC name is 4-(ethenoxymethyl)thiane 1-oxide.

Molecular Properties

Compound Name4-(ethenoxymethyl)thiane 1-oxide
PubChem CID176602942
Molecular FormulaC8H14O2S
Molecular Weight174.26 g/mol
Exact Mass174.07
IUPAC Name4-(ethenoxymethyl)thiane 1-oxide
SMILESC=COCC1CCS(=O)CC1
InChIInChI=1S/C8H14O2S/c1-2-10-7-8-3-5-11(9)6-4-8/h2,8H,1,3-7H2
InChIKeyZHNKMKIWMJGHRC-UHFFFAOYSA-N
XLogP1.31
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.26
LogP ≤ 51.31
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

[4-(ethenoxymethyl)cyclohexyl]methyl formate
CID 139924900
1-(ethenoxymethyl)-4-(methoxymethyl)cyclohexane
CID 22917925
4-(ethenoxymethyl)thiane
CID 176603153
[4-(ethenoxymethyl)cyclohexyl]methanol;hydrate
CID 89350942
[4-(ethenoxymethyl)cyclohexyl]methyl propanoate
CID 139924824
2-[[4-(ethenoxymethyl)cyclohexyl]methyl]oxirane
CID 123807812
4-[4-(ethenoxymethyl)cyclohexyl]-2-methylbut-2-enoic acid
CID 67281746
1,4-bis(2-ethenoxyethoxymethyl)cyclohexane
CID 71370153
4-[4-(ethenoxymethyl)cyclohexyl]benzonitrile
CID 18651101
1-(1-oxothian-4-yl)propan-2-amine
CID 142227478
3-(ethenoxymethyl)-1-methylpiperidine
CID 122664385
2-(ethenoxymethyl)thiirane 1,1-dioxide
CID 176603680

Frequently Asked Questions

What is the IUPAC name of 4-(ethenoxymethyl)thiane 1-oxide?
The IUPAC name of 4-(ethenoxymethyl)thiane 1-oxide (CID 176602942) is 4-(ethenoxymethyl)thiane 1-oxide.
What is the SMILES notation for 4-(ethenoxymethyl)thiane 1-oxide?
The canonical SMILES for 4-(ethenoxymethyl)thiane 1-oxide is C=COCC1CCS(=O)CC1.
What is the InChIKey of 4-(ethenoxymethyl)thiane 1-oxide?
The InChIKey is ZHNKMKIWMJGHRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2S/c1-2-10-7-8-3-5-11(9)6-4-8/h2,8H,1,3-7H2.
What are the key properties of 4-(ethenoxymethyl)thiane 1-oxide?
4-(ethenoxymethyl)thiane 1-oxide has a molecular weight of 174.26 g/mol, XLogP of 1.31, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethenoxymethyl)thiane 1-oxide is sourced from PubChem (CID 176602942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).