3-(ethenoxymethyl)-3-methylthietane

C7H12OS — CID 176605149

IUPAC3-(ethenoxymethyl)-3-methylthietane
SMILESC=COCC1(C)CSC1
InChIInChI=1S/C7H12OS/c1-3-8-4-7(2)5-9-6-7/h3H,1,4-6H2,2H3
InChIKeyMEXORHCCZJMJAV-UHFFFAOYSA-N
MW144.24 g/mol
LogP1.90
Rot. Bonds3

About 3-(ethenoxymethyl)-3-methylthietane

3-(ethenoxymethyl)-3-methylthietane (PubChem CID 176605149) has the molecular formula C7H12OS and a molecular weight of 144.24 g/mol. Its IUPAC name is 3-(ethenoxymethyl)-3-methylthietane.

Molecular Properties

Compound Name3-(ethenoxymethyl)-3-methylthietane
PubChem CID176605149
Molecular FormulaC7H12OS
Molecular Weight144.24 g/mol
Exact Mass144.06
IUPAC Name3-(ethenoxymethyl)-3-methylthietane
SMILESC=COCC1(C)CSC1
InChIInChI=1S/C7H12OS/c1-3-8-4-7(2)5-9-6-7/h3H,1,4-6H2,2H3
InChIKeyMEXORHCCZJMJAV-UHFFFAOYSA-N
XLogP1.90
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.24
LogP ≤ 51.90
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

1-(3-Ethenoxypropylsulfanyl)-2,2-dimethylpropane
CID 18539658
6,6-Dimethyl-5,7-dihydro-1,4-oxathiepine
CID 58183544
2-(2-Methoxyethenylsulfanyl)-2-methylpropane
CID 123817305
3-Methyl-3-(methylsulfanylmethyl)oxetane
CID 129940383
3-(1-Ethenoxyethyl)thietane
CID 176603880
3-methyl-3-[[(E)-prop-1-enoxy]methyl]thietane
CID 176604074
3-(Ethenoxymethyl)-3-ethylthietane
CID 176604120
3-(2-Ethenoxyethyl)thietane
CID 176604624
3-(Ethenoxymethyl)thietane
CID 176604957
3-(2-Ethenoxyethyl)-3-methylthietane
CID 176604958
3-(Ethenoxymethyl)-3-methylthietane 1-oxide
CID 176605300
1-Ethenoxy-2-methyl-3-methylsulfanylpropane
CID 131043020

Frequently Asked Questions

What is the IUPAC name of 3-(ethenoxymethyl)-3-methylthietane?
The IUPAC name of 3-(ethenoxymethyl)-3-methylthietane (CID 176605149) is 3-(ethenoxymethyl)-3-methylthietane.
What is the SMILES notation for 3-(ethenoxymethyl)-3-methylthietane?
The canonical SMILES for 3-(ethenoxymethyl)-3-methylthietane is C=COCC1(C)CSC1.
What is the InChIKey of 3-(ethenoxymethyl)-3-methylthietane?
The InChIKey is MEXORHCCZJMJAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12OS/c1-3-8-4-7(2)5-9-6-7/h3H,1,4-6H2,2H3.
What are the key properties of 3-(ethenoxymethyl)-3-methylthietane?
3-(ethenoxymethyl)-3-methylthietane has a molecular weight of 144.24 g/mol, XLogP of 1.90, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethenoxymethyl)-3-methylthietane is sourced from PubChem (CID 176605149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).