2-[2-(2-methylprop-1-enoxy)ethyl]thiirane

C8H14OS — CID 176603917

IUPAC2-[2-(2-methylprop-1-enoxy)ethyl]thiirane
SMILESCC(C)=COCCC1CS1
InChIInChI=1S/C8H14OS/c1-7(2)5-9-4-3-8-6-10-8/h5,8H,3-4,6H2,1-2H3
InChIKeyZFWWMZIJLVWDIE-UHFFFAOYSA-N
MW158.27 g/mol
LogP2.43
Rot. Bonds4

About 2-[2-(2-methylprop-1-enoxy)ethyl]thiirane

2-[2-(2-methylprop-1-enoxy)ethyl]thiirane (PubChem CID 176603917) has the molecular formula C8H14OS and a molecular weight of 158.27 g/mol. Its IUPAC name is 2-[2-(2-methylprop-1-enoxy)ethyl]thiirane.

Molecular Properties

Compound Name2-[2-(2-methylprop-1-enoxy)ethyl]thiirane
PubChem CID176603917
Molecular FormulaC8H14OS
Molecular Weight158.27 g/mol
Exact Mass158.08
IUPAC Name2-[2-(2-methylprop-1-enoxy)ethyl]thiirane
SMILESCC(C)=COCCC1CS1
InChIInChI=1S/C8H14OS/c1-7(2)5-9-4-3-8-6-10-8/h5,8H,3-4,6H2,1-2H3
InChIKeyZFWWMZIJLVWDIE-UHFFFAOYSA-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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

2-[2-(2-Methylprop-1-enoxy)ethyl]thiirane 1,1-dioxide
CID 176603229
2-[2-[(E)-prop-1-enoxy]ethyl]thiirane
CID 176603269
2-[3-(2-Methylprop-1-enoxy)propyl]thiirane
CID 176603285
2-[2-(2-Methylprop-1-enoxy)ethyl]thiirane 1-oxide
CID 176603354
2-Methyl-2-[2-(2-methylprop-1-enoxy)ethyl]thiirane 1-oxide
CID 176603493
2-Methyl-2-(2-methylprop-1-enoxymethyl)thiirane
CID 176603793
2-(2-Methylprop-1-enoxymethyl)thiirane
CID 176603851
2-methyl-2-[2-[(E)-prop-1-enoxy]ethyl]thiirane
CID 176604142
2-ethyl-2-[[(E)-prop-1-enoxy]methyl]thiirane
CID 176604196
2-Methyl-2-[2-(2-methylprop-1-enoxy)ethyl]thiirane
CID 176604358
2-Ethyl-2-(2-methylprop-1-enoxymethyl)thiirane 1-oxide
CID 176604828
2-[1-(2-Methylprop-1-enoxy)ethyl]thiirane
CID 176605087

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methylprop-1-enoxy)ethyl]thiirane?
The IUPAC name of 2-[2-(2-methylprop-1-enoxy)ethyl]thiirane (CID 176603917) is 2-[2-(2-methylprop-1-enoxy)ethyl]thiirane.
What is the SMILES notation for 2-[2-(2-methylprop-1-enoxy)ethyl]thiirane?
The canonical SMILES for 2-[2-(2-methylprop-1-enoxy)ethyl]thiirane is CC(C)=COCCC1CS1.
What is the InChIKey of 2-[2-(2-methylprop-1-enoxy)ethyl]thiirane?
The InChIKey is ZFWWMZIJLVWDIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14OS/c1-7(2)5-9-4-3-8-6-10-8/h5,8H,3-4,6H2,1-2H3.
What are the key properties of 2-[2-(2-methylprop-1-enoxy)ethyl]thiirane?
2-[2-(2-methylprop-1-enoxy)ethyl]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-[2-(2-methylprop-1-enoxy)ethyl]thiirane is sourced from PubChem (CID 176603917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).