2-ethyl-2-[[(E)-prop-1-enoxy]methyl]thiirane

C8H14OS — CID 176604196

IUPAC2-ethyl-2-[[(E)-prop-1-enoxy]methyl]thiirane
SMILESC/C=C/OCC1(CC)CS1
InChIInChI=1S/C8H14OS/c1-3-5-9-6-8(4-2)7-10-8/h3,5H,4,6-7H2,1-2H3/b5-3+
InChIKeyDBZXKIODFPNMOO-HWKANZROSA-N
MW158.27 g/mol
LogP2.43
Rot. Bonds4

About 2-ethyl-2-[[(E)-prop-1-enoxy]methyl]thiirane

2-ethyl-2-[[(E)-prop-1-enoxy]methyl]thiirane (PubChem CID 176604196) has the molecular formula C8H14OS and a molecular weight of 158.27 g/mol. Its IUPAC name is 2-ethyl-2-[[(E)-prop-1-enoxy]methyl]thiirane.

Molecular Properties

Compound Name2-ethyl-2-[[(E)-prop-1-enoxy]methyl]thiirane
PubChem CID176604196
Molecular FormulaC8H14OS
Molecular Weight158.27 g/mol
Exact Mass158.08
IUPAC Name2-ethyl-2-[[(E)-prop-1-enoxy]methyl]thiirane
SMILESC/C=C/OCC1(CC)CS1
InChIInChI=1S/C8H14OS/c1-3-5-9-6-8(4-2)7-10-8/h3,5H,4,6-7H2,1-2H3/b5-3+
InChIKeyDBZXKIODFPNMOO-HWKANZROSA-N
XLogP2.43
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.27
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(Prop-1-enoxymethyl)thiirane
CID 57240713
2-[[(E)-prop-1-enoxy]methyl]thiirane
CID 88775215
2-[2-[(E)-prop-1-enoxy]ethyl]thiirane
CID 176603269
2-ethyl-2-[[(E)-prop-1-enoxy]methyl]thiirane 1,1-dioxide
CID 176603548
2-methyl-2-[2-[(E)-prop-1-enoxy]ethyl]thiirane 1-oxide
CID 176603552
2-[2-(2-Methylprop-1-enoxy)ethyl]thiirane
CID 176603917
2-methyl-2-[[(E)-prop-1-enoxy]methyl]thiirane
CID 176604027
2-methyl-2-[2-[(E)-prop-1-enoxy]ethyl]thiirane
CID 176604142
3-[2-[(E)-prop-1-enoxy]ethyl]thietane
CID 176604223
2-Methyl-2-[2-(2-methylprop-1-enoxy)ethyl]thiirane
CID 176604358
2-(Ethenoxymethyl)-2-ethylthiirane
CID 176604587
2-[3-[(E)-prop-1-enoxy]propyl]thiirane
CID 176604691

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[[(E)-prop-1-enoxy]methyl]thiirane?
The IUPAC name of 2-ethyl-2-[[(E)-prop-1-enoxy]methyl]thiirane (CID 176604196) is 2-ethyl-2-[[(E)-prop-1-enoxy]methyl]thiirane.
What is the SMILES notation for 2-ethyl-2-[[(E)-prop-1-enoxy]methyl]thiirane?
The canonical SMILES for 2-ethyl-2-[[(E)-prop-1-enoxy]methyl]thiirane is C/C=C/OCC1(CC)CS1.
What is the InChIKey of 2-ethyl-2-[[(E)-prop-1-enoxy]methyl]thiirane?
The InChIKey is DBZXKIODFPNMOO-HWKANZROSA-N. The full InChI is InChI=1S/C8H14OS/c1-3-5-9-6-8(4-2)7-10-8/h3,5H,4,6-7H2,1-2H3/b5-3+.
What are the key properties of 2-ethyl-2-[[(E)-prop-1-enoxy]methyl]thiirane?
2-ethyl-2-[[(E)-prop-1-enoxy]methyl]thiirane has a molecular weight of 158.27 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[[(E)-prop-1-enoxy]methyl]thiirane is sourced from PubChem (CID 176604196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).