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

C8H14OS — CID 176604746

IUPAC3-[[(E)-prop-1-enoxy]methyl]thiolane
SMILESC/C=C/OCC1CCSC1
InChIInChI=1S/C8H14OS/c1-2-4-9-6-8-3-5-10-7-8/h2,4,8H,3,5-7H2,1H3/b4-2+
InChIKeyXUFYIMJIDCLMHZ-DUXPYHPUSA-N
MW158.27 g/mol
LogP2.29
Rot. Bonds3

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

3-[[(E)-prop-1-enoxy]methyl]thiolane (PubChem CID 176604746) has the molecular formula C8H14OS and a molecular weight of 158.27 g/mol. Its IUPAC name is 3-[[(E)-prop-1-enoxy]methyl]thiolane.

Molecular Properties

Compound Name3-[[(E)-prop-1-enoxy]methyl]thiolane
PubChem CID176604746
Molecular FormulaC8H14OS
Molecular Weight158.27 g/mol
Exact Mass158.08
IUPAC Name3-[[(E)-prop-1-enoxy]methyl]thiolane
SMILESC/C=C/OCC1CCSC1
InChIInChI=1S/C8H14OS/c1-2-4-9-6-8-3-5-10-7-8/h2,4,8H,3,5-7H2,1H3/b4-2+
InChIKeyXUFYIMJIDCLMHZ-DUXPYHPUSA-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

3-Methyl-2-propylsulfanyl-2,3-dihydrofuran
CID 68273629
2-[(Z)-prop-1-enoxy]thiolane
CID 68960628
2-Prop-1-enoxythiolane
CID 77580741
Ethane;3-(ethylsulfanylmethyl)oxolane;prop-1-ene
CID 169106854
3-[[(E)-prop-1-enoxy]methyl]thiolane 1-oxide
CID 176603249
2-methyl-2-[[(E)-prop-1-enoxy]methyl]thiolane
CID 176603272
3-ethyl-3-[[(E)-prop-1-enoxy]methyl]thiolane
CID 176603474
3-[2-[(E)-prop-1-enoxy]ethyl]thiolane
CID 176603696
3-[1-[(E)-prop-1-enoxy]ethyl]thiolane
CID 176604101
2-[[(E)-prop-1-enoxy]methyl]thiolane
CID 176604118
2-methyl-2-[2-[(E)-prop-1-enoxy]ethyl]thiirane
CID 176604142
2-ethyl-2-[[(E)-prop-1-enoxy]methyl]thiirane
CID 176604196

Frequently Asked Questions

What is the IUPAC name of 3-[[(E)-prop-1-enoxy]methyl]thiolane?
The IUPAC name of 3-[[(E)-prop-1-enoxy]methyl]thiolane (CID 176604746) is 3-[[(E)-prop-1-enoxy]methyl]thiolane.
What is the SMILES notation for 3-[[(E)-prop-1-enoxy]methyl]thiolane?
The canonical SMILES for 3-[[(E)-prop-1-enoxy]methyl]thiolane is C/C=C/OCC1CCSC1.
What is the InChIKey of 3-[[(E)-prop-1-enoxy]methyl]thiolane?
The InChIKey is XUFYIMJIDCLMHZ-DUXPYHPUSA-N. The full InChI is InChI=1S/C8H14OS/c1-2-4-9-6-8-3-5-10-7-8/h2,4,8H,3,5-7H2,1H3/b4-2+.
What are the key properties of 3-[[(E)-prop-1-enoxy]methyl]thiolane?
3-[[(E)-prop-1-enoxy]methyl]thiolane 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 3-[[(E)-prop-1-enoxy]methyl]thiolane is sourced from PubChem (CID 176604746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).