2-[[(E)-prop-1-enoxy]methyl]-1,4-dithiane

C8H14OS2 — CID 176604670

IUPAC2-[[(E)-prop-1-enoxy]methyl]-1,4-dithiane
SMILESC/C=C/OCC1CSCCS1
InChIInChI=1S/C8H14OS2/c1-2-3-9-6-8-7-10-4-5-11-8/h2-3,8H,4-7H2,1H3/b3-2+
InChIKeyQGZNLYIXRUQNOG-NSCUHMNNSA-N
MW190.33 g/mol
LogP2.39
Rot. Bonds3

About 2-[[(E)-prop-1-enoxy]methyl]-1,4-dithiane

2-[[(E)-prop-1-enoxy]methyl]-1,4-dithiane (PubChem CID 176604670) has the molecular formula C8H14OS2 and a molecular weight of 190.33 g/mol. Its IUPAC name is 2-[[(E)-prop-1-enoxy]methyl]-1,4-dithiane.

Molecular Properties

Compound Name2-[[(E)-prop-1-enoxy]methyl]-1,4-dithiane
PubChem CID176604670
Molecular FormulaC8H14OS2
Molecular Weight190.33 g/mol
Exact Mass190.05
IUPAC Name2-[[(E)-prop-1-enoxy]methyl]-1,4-dithiane
SMILESC/C=C/OCC1CSCCS1
InChIInChI=1S/C8H14OS2/c1-2-3-9-6-8-7-10-4-5-11-8/h2-3,8H,4-7H2,1H3/b3-2+
InChIKeyQGZNLYIXRUQNOG-NSCUHMNNSA-N
XLogP2.39
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.33
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(1Z)-1-methoxybuta-1,3-dienyl]-1,3-dithiane
CID 135013034
O-(3-propylsulfanylprop-1-enyl) ethanethioate
CID 91206860
ethane;4H-1,3-oxathiine
CID 142173991
1-[2-[2-[2-(2-Prop-1-enoxyethylsulfanyl)ethylsulfanyl]ethylsulfanyl]ethoxy]prop-1-ene
CID 149955069
2-methyl-2-[[(E)-prop-1-enoxy]methyl]-1,4-dithiane
CID 176602937
2-[1-[(E)-prop-1-enoxy]ethyl]-1,4-dithiane
CID 176602979
2-[2-(2-Methylprop-1-enoxy)ethyl]-1,4-dithiane
CID 176603271
2-Methyl-2-(2-methylprop-1-enoxymethyl)-1,4-dithiane
CID 176603286
2-(Ethenoxymethyl)-2-methyl-1,4-dithiane
CID 176603310
2-(2-Methylprop-1-enoxymethyl)-1,4-dithiane
CID 176603370
2-methyl-2-[[(E)-prop-1-enoxy]methyl]-1,4-dithiane 1,4-dioxide
CID 176603495
2-methyl-2-[2-[(E)-prop-1-enoxy]ethyl]-1,4-dithiane
CID 176603632

Frequently Asked Questions

What is the IUPAC name of 2-[[(E)-prop-1-enoxy]methyl]-1,4-dithiane?
The IUPAC name of 2-[[(E)-prop-1-enoxy]methyl]-1,4-dithiane (CID 176604670) is 2-[[(E)-prop-1-enoxy]methyl]-1,4-dithiane.
What is the SMILES notation for 2-[[(E)-prop-1-enoxy]methyl]-1,4-dithiane?
The canonical SMILES for 2-[[(E)-prop-1-enoxy]methyl]-1,4-dithiane is C/C=C/OCC1CSCCS1.
What is the InChIKey of 2-[[(E)-prop-1-enoxy]methyl]-1,4-dithiane?
The InChIKey is QGZNLYIXRUQNOG-NSCUHMNNSA-N. The full InChI is InChI=1S/C8H14OS2/c1-2-3-9-6-8-7-10-4-5-11-8/h2-3,8H,4-7H2,1H3/b3-2+.
What are the key properties of 2-[[(E)-prop-1-enoxy]methyl]-1,4-dithiane?
2-[[(E)-prop-1-enoxy]methyl]-1,4-dithiane has a molecular weight of 190.33 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(E)-prop-1-enoxy]methyl]-1,4-dithiane is sourced from PubChem (CID 176604670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).