3-methyl-3-[2-[(E)-prop-1-enoxy]ethyl]thiolane 1-oxide

C10H18O2S — CID 176603932

IUPAC3-methyl-3-[2-[(E)-prop-1-enoxy]ethyl]thiolane 1-oxide
SMILESC/C=C/OCCC1(C)CCS(=O)C1
InChIInChI=1S/C10H18O2S/c1-3-6-12-7-4-10(2)5-8-13(11)9-10/h3,6H,4-5,7-9H2,1-2H3/b6-3+
InChIKeyIJENHKBJMZGLFP-ZZXKWVIFSA-N
MW202.32 g/mol
LogP2.09
Rot. Bonds4

About 3-methyl-3-[2-[(E)-prop-1-enoxy]ethyl]thiolane 1-oxide

3-methyl-3-[2-[(E)-prop-1-enoxy]ethyl]thiolane 1-oxide (PubChem CID 176603932) has the molecular formula C10H18O2S and a molecular weight of 202.32 g/mol. Its IUPAC name is 3-methyl-3-[2-[(E)-prop-1-enoxy]ethyl]thiolane 1-oxide.

Molecular Properties

Compound Name3-methyl-3-[2-[(E)-prop-1-enoxy]ethyl]thiolane 1-oxide
PubChem CID176603932
Molecular FormulaC10H18O2S
Molecular Weight202.32 g/mol
Exact Mass202.10
IUPAC Name3-methyl-3-[2-[(E)-prop-1-enoxy]ethyl]thiolane 1-oxide
SMILESC/C=C/OCCC1(C)CCS(=O)C1
InChIInChI=1S/C10H18O2S/c1-3-6-12-7-4-10(2)5-8-13(11)9-10/h3,6H,4-5,7-9H2,1-2H3/b6-3+
InChIKeyIJENHKBJMZGLFP-ZZXKWVIFSA-N
XLogP2.09
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.32
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-ethyl-3-[3-[(E)-prop-1-enoxy]propyl]thiolane
CID 176602987
3-Ethyl-3-[3-(2-methylprop-1-enoxy)propyl]thiolane 1-oxide
CID 176603008
2-methyl-2-[[(E)-prop-1-enoxy]methyl]thiolane 1,1-dioxide
CID 176603136
3-[[(E)-prop-1-enoxy]methyl]thiolane 1-oxide
CID 176603249
3-Ethyl-3-(2-methylprop-1-enoxymethyl)thiolane 1,1-dioxide
CID 176603357
3-methyl-3-[[(E)-prop-1-enoxy]methyl]thiolane 1-oxide
CID 176603361
2-ethyl-2-[3-[(E)-prop-1-enoxy]propyl]thiolane 1-oxide
CID 176603365
3-Methyl-3-[2-(2-methylprop-1-enoxy)ethyl]thiolane 1-oxide
CID 176603404
3-Ethyl-3-[3-(2-methylprop-1-enoxy)propyl]thiolane 1,1-dioxide
CID 176603418
3-ethyl-3-[[(E)-prop-1-enoxy]methyl]thiolane
CID 176603474
2-[2-[(E)-prop-1-enoxy]ethyl]thiolane 1-oxide
CID 176603489
3-Methyl-3-(2-methylprop-1-enoxymethyl)thiolane 1-oxide
CID 176603504

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-[2-[(E)-prop-1-enoxy]ethyl]thiolane 1-oxide?
The IUPAC name of 3-methyl-3-[2-[(E)-prop-1-enoxy]ethyl]thiolane 1-oxide (CID 176603932) is 3-methyl-3-[2-[(E)-prop-1-enoxy]ethyl]thiolane 1-oxide.
What is the SMILES notation for 3-methyl-3-[2-[(E)-prop-1-enoxy]ethyl]thiolane 1-oxide?
The canonical SMILES for 3-methyl-3-[2-[(E)-prop-1-enoxy]ethyl]thiolane 1-oxide is C/C=C/OCCC1(C)CCS(=O)C1.
What is the InChIKey of 3-methyl-3-[2-[(E)-prop-1-enoxy]ethyl]thiolane 1-oxide?
The InChIKey is IJENHKBJMZGLFP-ZZXKWVIFSA-N. The full InChI is InChI=1S/C10H18O2S/c1-3-6-12-7-4-10(2)5-8-13(11)9-10/h3,6H,4-5,7-9H2,1-2H3/b6-3+.
What are the key properties of 3-methyl-3-[2-[(E)-prop-1-enoxy]ethyl]thiolane 1-oxide?
3-methyl-3-[2-[(E)-prop-1-enoxy]ethyl]thiolane 1-oxide has a molecular weight of 202.32 g/mol, XLogP of 2.09, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-[2-[(E)-prop-1-enoxy]ethyl]thiolane 1-oxide is sourced from PubChem (CID 176603932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).