2-[[(E)-prop-1-enoxy]methyl]thiolane 1-oxide

C8H14O2S — CID 176604051

IUPAC2-[[(E)-prop-1-enoxy]methyl]thiolane 1-oxide
SMILESC/C=C/OCC1CCCS1=O
InChIInChI=1S/C8H14O2S/c1-2-5-10-7-8-4-3-6-11(8)9/h2,5,8H,3-4,6-7H2,1H3/b5-2+
InChIKeyNJEXGXCWRKKUMC-GORDUTHDSA-N
MW174.26 g/mol
LogP1.45
Rot. Bonds3

About 2-[[(E)-prop-1-enoxy]methyl]thiolane 1-oxide

2-[[(E)-prop-1-enoxy]methyl]thiolane 1-oxide (PubChem CID 176604051) has the molecular formula C8H14O2S and a molecular weight of 174.26 g/mol. Its IUPAC name is 2-[[(E)-prop-1-enoxy]methyl]thiolane 1-oxide.

Molecular Properties

Compound Name2-[[(E)-prop-1-enoxy]methyl]thiolane 1-oxide
PubChem CID176604051
Molecular FormulaC8H14O2S
Molecular Weight174.26 g/mol
Exact Mass174.07
IUPAC Name2-[[(E)-prop-1-enoxy]methyl]thiolane 1-oxide
SMILESC/C=C/OCC1CCCS1=O
InChIInChI=1S/C8H14O2S/c1-2-5-10-7-8-4-3-6-11(8)9/h2,5,8H,3-4,6-7H2,1H3/b5-2+
InChIKeyNJEXGXCWRKKUMC-GORDUTHDSA-N
XLogP1.45
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 ≤ 51.45
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]oxane
CID 176603518
2-[3-(2-methylprop-1-enoxy)propyl]thiane 1-oxide
CID 176604977
2-[[(E)-prop-1-enoxy]methyl]oxirane
CID 6436935
2-octylthiolane 1-oxide
CID 10330942
1-[(E)-prop-1-enoxy]-2-[[(E)-prop-1-enoxy]methyl]piperidine
CID 141448973
2-(cyclopentylidenemethoxymethyl)thiirane 1-oxide
CID 176603763
3-[1-[(E)-prop-1-enoxy]ethyl]thiepane 1-oxide
CID 176605211
1-[(Z)-prop-1-enoxy]-4-[(E)-prop-1-enoxy]butane
CID 131862355
2-ethylthietane 1-oxide
CID 18989880
(2S,3S)-2,3-dimethylthiane 1-oxide
CID 134881522
1,10-bis(prop-1-enoxy)decane
CID 54271291
3-(prop-1-enoxymethyl)-1,5,7,11-tetraoxaspiro[5.5]undecane
CID 150161770

Frequently Asked Questions

What is the IUPAC name of 2-[[(E)-prop-1-enoxy]methyl]thiolane 1-oxide?
The IUPAC name of 2-[[(E)-prop-1-enoxy]methyl]thiolane 1-oxide (CID 176604051) is 2-[[(E)-prop-1-enoxy]methyl]thiolane 1-oxide.
What is the SMILES notation for 2-[[(E)-prop-1-enoxy]methyl]thiolane 1-oxide?
The canonical SMILES for 2-[[(E)-prop-1-enoxy]methyl]thiolane 1-oxide is C/C=C/OCC1CCCS1=O.
What is the InChIKey of 2-[[(E)-prop-1-enoxy]methyl]thiolane 1-oxide?
The InChIKey is NJEXGXCWRKKUMC-GORDUTHDSA-N. The full InChI is InChI=1S/C8H14O2S/c1-2-5-10-7-8-4-3-6-11(8)9/h2,5,8H,3-4,6-7H2,1H3/b5-2+.
What are the key properties of 2-[[(E)-prop-1-enoxy]methyl]thiolane 1-oxide?
2-[[(E)-prop-1-enoxy]methyl]thiolane 1-oxide has a molecular weight of 174.26 g/mol, XLogP of 1.45, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(E)-prop-1-enoxy]methyl]thiolane 1-oxide is sourced from PubChem (CID 176604051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).