2-methyl-2-(2-methylprop-1-enoxymethyl)thiirane

C8H14OS — CID 176603793

IUPAC2-methyl-2-(2-methylprop-1-enoxymethyl)thiirane
SMILESCC(C)=COCC1(C)CS1
InChIInChI=1S/C8H14OS/c1-7(2)4-9-5-8(3)6-10-8/h4H,5-6H2,1-3H3
InChIKeyQARJNUJPORFZIF-UHFFFAOYSA-N
MW158.27 g/mol
LogP2.43
Rot. Bonds3

About 2-methyl-2-(2-methylprop-1-enoxymethyl)thiirane

2-methyl-2-(2-methylprop-1-enoxymethyl)thiirane (PubChem CID 176603793) has the molecular formula C8H14OS and a molecular weight of 158.27 g/mol. Its IUPAC name is 2-methyl-2-(2-methylprop-1-enoxymethyl)thiirane.

Molecular Properties

Compound Name2-methyl-2-(2-methylprop-1-enoxymethyl)thiirane
PubChem CID176603793
Molecular FormulaC8H14OS
Molecular Weight158.27 g/mol
Exact Mass158.08
IUPAC Name2-methyl-2-(2-methylprop-1-enoxymethyl)thiirane
SMILESCC(C)=COCC1(C)CS1
InChIInChI=1S/C8H14OS/c1-7(2)4-9-5-8(3)6-10-8/h4H,5-6H2,1-3H3
InChIKeyQARJNUJPORFZIF-UHFFFAOYSA-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'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

1-Ethoxy-1-ethylsulfanyl-2-methylprop-1-ene
CID 134987605
2-(Prop-1-enoxymethyl)thiirane
CID 57240713
2-[[(E)-prop-1-enoxy]methyl]thiirane
CID 88775215
1-(2-Ethylsulfanylethoxy)-2-methylprop-1-ene
CID 140143799
2-[3-(2-Methylprop-1-enoxy)propyl]thiirane
CID 176603285
2-(2-Methylprop-1-enoxymethyl)thiirane 1-oxide
CID 176603453
2-(2-Methylprop-1-enoxymethyl)thiirane
CID 176603851
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-(2-methylprop-1-enoxy)ethyl]thiirane
CID 176604358
2-Methyl-2-(2-methylprop-1-enoxymethyl)thiirane 1-oxide
CID 176604546
2-[1-(2-Methylprop-1-enoxy)ethyl]thiirane
CID 176605087

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(2-methylprop-1-enoxymethyl)thiirane?
The IUPAC name of 2-methyl-2-(2-methylprop-1-enoxymethyl)thiirane (CID 176603793) is 2-methyl-2-(2-methylprop-1-enoxymethyl)thiirane.
What is the SMILES notation for 2-methyl-2-(2-methylprop-1-enoxymethyl)thiirane?
The canonical SMILES for 2-methyl-2-(2-methylprop-1-enoxymethyl)thiirane is CC(C)=COCC1(C)CS1.
What is the InChIKey of 2-methyl-2-(2-methylprop-1-enoxymethyl)thiirane?
The InChIKey is QARJNUJPORFZIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14OS/c1-7(2)4-9-5-8(3)6-10-8/h4H,5-6H2,1-3H3.
What are the key properties of 2-methyl-2-(2-methylprop-1-enoxymethyl)thiirane?
2-methyl-2-(2-methylprop-1-enoxymethyl)thiirane 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-methyl-2-(2-methylprop-1-enoxymethyl)thiirane is sourced from PubChem (CID 176603793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).