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

C8H14OS — CID 176604118

IUPAC2-[[(E)-prop-1-enoxy]methyl]thiolane
SMILESC/C=C/OCC1CCCS1
InChIInChI=1S/C8H14OS/c1-2-5-9-7-8-4-3-6-10-8/h2,5,8H,3-4,6-7H2,1H3/b5-2+
InChIKeyBHTIKRWRUOMIKT-GORDUTHDSA-N
MW158.27 g/mol
LogP2.43
Rot. Bonds3

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

2-[[(E)-prop-1-enoxy]methyl]thiolane (PubChem CID 176604118) has the molecular formula C8H14OS and a molecular weight of 158.27 g/mol. Its IUPAC name is 2-[[(E)-prop-1-enoxy]methyl]thiolane.

Molecular Properties

Compound Name2-[[(E)-prop-1-enoxy]methyl]thiolane
PubChem CID176604118
Molecular FormulaC8H14OS
Molecular Weight158.27 g/mol
Exact Mass158.08
IUPAC Name2-[[(E)-prop-1-enoxy]methyl]thiolane
SMILESC/C=C/OCC1CCCS1
InChIInChI=1S/C8H14OS/c1-2-5-9-7-8-4-3-6-10-8/h2,5,8H,3-4,6-7H2,1H3/b5-2+
InChIKeyBHTIKRWRUOMIKT-GORDUTHDSA-N
XLogP2.43
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 ≤ 52.43
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

2-[(Z)-prop-1-enoxy]thiolane
CID 68960628
2-Prop-1-enoxythiolane
CID 77580741
1-[(Z)-3-methylsulfanylprop-1-enoxy]pentane
CID 88643488
1-(3-Methylsulfanylprop-1-enoxy)pentane
CID 88643491
2-Methylsulfanyl-1-prop-1-enoxypentane
CID 140029839
2-methyl-2-[[(E)-prop-1-enoxy]methyl]thiolane
CID 176603272
2-[3-[(E)-prop-1-enoxy]propyl]thiolane
CID 176603325
2-[[(E)-prop-1-enoxy]methyl]thiolane 1,1-dioxide
CID 176603350
2-[2-[(E)-prop-1-enoxy]ethyl]thiolane
CID 176603408
3-[2-[(E)-prop-1-enoxy]ethyl]thiolane
CID 176603696
3-methyl-3-[2-[(E)-prop-1-enoxy]ethyl]thiolane
CID 176603814
2-[1-[(E)-prop-1-enoxy]ethyl]thiolane
CID 176604014

Frequently Asked Questions

What is the IUPAC name of 2-[[(E)-prop-1-enoxy]methyl]thiolane?
The IUPAC name of 2-[[(E)-prop-1-enoxy]methyl]thiolane (CID 176604118) is 2-[[(E)-prop-1-enoxy]methyl]thiolane.
What is the SMILES notation for 2-[[(E)-prop-1-enoxy]methyl]thiolane?
The canonical SMILES for 2-[[(E)-prop-1-enoxy]methyl]thiolane is C/C=C/OCC1CCCS1.
What is the InChIKey of 2-[[(E)-prop-1-enoxy]methyl]thiolane?
The InChIKey is BHTIKRWRUOMIKT-GORDUTHDSA-N. The full InChI is InChI=1S/C8H14OS/c1-2-5-9-7-8-4-3-6-10-8/h2,5,8H,3-4,6-7H2,1H3/b5-2+.
What are the key properties of 2-[[(E)-prop-1-enoxy]methyl]thiolane?
2-[[(E)-prop-1-enoxy]methyl]thiolane has a molecular weight of 158.27 g/mol, XLogP of 2.43, 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 is sourced from PubChem (CID 176604118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).