3-(2-methylprop-1-enoxymethyl)thietane

C8H14OS — CID 176605012

IUPAC3-(2-methylprop-1-enoxymethyl)thietane
SMILESCC(C)=COCC1CSC1
InChIInChI=1S/C8H14OS/c1-7(2)3-9-4-8-5-10-6-8/h3,8H,4-6H2,1-2H3
InChIKeyMGQSSUVEMMRZBJ-UHFFFAOYSA-N
MW158.27 g/mol
LogP2.29
Rot. Bonds3

About 3-(2-methylprop-1-enoxymethyl)thietane

3-(2-methylprop-1-enoxymethyl)thietane (PubChem CID 176605012) has the molecular formula C8H14OS and a molecular weight of 158.27 g/mol. Its IUPAC name is 3-(2-methylprop-1-enoxymethyl)thietane.

Molecular Properties

Compound Name3-(2-methylprop-1-enoxymethyl)thietane
PubChem CID176605012
Molecular FormulaC8H14OS
Molecular Weight158.27 g/mol
Exact Mass158.08
IUPAC Name3-(2-methylprop-1-enoxymethyl)thietane
SMILESCC(C)=COCC1CSC1
InChIInChI=1S/C8H14OS/c1-7(2)3-9-4-8-5-10-6-8/h3,8H,4-6H2,1-2H3
InChIKeyMGQSSUVEMMRZBJ-UHFFFAOYSA-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-[1-[(E)-prop-1-enoxy]ethyl]thietane
CID 176603647
3-(2-Methylprop-1-enoxymethyl)thietane 1,1-dioxide
CID 176603920
3-[1-(2-Methylprop-1-enoxy)ethyl]thietane
CID 176603944
3-methyl-3-[[(E)-prop-1-enoxy]methyl]thietane
CID 176604074
3-[2-[(E)-prop-1-enoxy]ethyl]thietane
CID 176604223
3-[3-(2-Methylprop-1-enoxy)propyl]thietane
CID 176604248
3-Methyl-3-(2-methylprop-1-enoxymethyl)thietane
CID 176604408
3-Ethyl-3-(2-methylprop-1-enoxymethyl)thietane
CID 176604508
3-[[(E)-prop-1-enoxy]methyl]thietane
CID 176604531
3-[2-(2-Methylprop-1-enoxy)ethyl]thietane
CID 176604878
3-(2-Methylprop-1-enoxymethyl)thietane 1-oxide
CID 176605386
3-Methyl-3-[2-(2-methylprop-1-enoxy)ethyl]thietane
CID 176605402

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylprop-1-enoxymethyl)thietane?
The IUPAC name of 3-(2-methylprop-1-enoxymethyl)thietane (CID 176605012) is 3-(2-methylprop-1-enoxymethyl)thietane.
What is the SMILES notation for 3-(2-methylprop-1-enoxymethyl)thietane?
The canonical SMILES for 3-(2-methylprop-1-enoxymethyl)thietane is CC(C)=COCC1CSC1.
What is the InChIKey of 3-(2-methylprop-1-enoxymethyl)thietane?
The InChIKey is MGQSSUVEMMRZBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14OS/c1-7(2)3-9-4-8-5-10-6-8/h3,8H,4-6H2,1-2H3.
What are the key properties of 3-(2-methylprop-1-enoxymethyl)thietane?
3-(2-methylprop-1-enoxymethyl)thietane 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-(2-methylprop-1-enoxymethyl)thietane is sourced from PubChem (CID 176605012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).