2-ethyloxetane;2-propyl-2,3-dihydrothiophene

C12H22OS — CID 142087295

IUPAC2-ethyloxetane;2-propyl-2,3-dihydrothiophene
SMILESCCC1CCO1.CCCC1CC=CS1
InChIInChI=1S/C7H12S.C5H10O/c1-2-4-7-5-3-6-8-7;1-2-5-3-4-6-5/h3,6-7H,2,4-5H2,1H3;5H,2-4H2,1H3
InChIKeySNWPHUBSYQKWMX-UHFFFAOYSA-N
MW214.37 g/mol
LogP3.99
Rot. Bonds3

About 2-ethyloxetane;2-propyl-2,3-dihydrothiophene

2-ethyloxetane;2-propyl-2,3-dihydrothiophene (PubChem CID 142087295) has the molecular formula C12H22OS and a molecular weight of 214.37 g/mol. Its IUPAC name is 2-ethyloxetane;2-propyl-2,3-dihydrothiophene.

Molecular Properties

Compound Name2-ethyloxetane;2-propyl-2,3-dihydrothiophene
PubChem CID142087295
Molecular FormulaC12H22OS
Molecular Weight214.37 g/mol
Exact Mass214.14
IUPAC Name2-ethyloxetane;2-propyl-2,3-dihydrothiophene
SMILESCCC1CCO1.CCCC1CC=CS1
InChIInChI=1S/C7H12S.C5H10O/c1-2-4-7-5-3-6-8-7;1-2-5-3-4-6-5/h3,6-7H,2,4-5H2,1H3;5H,2-4H2,1H3
InChIKeySNWPHUBSYQKWMX-UHFFFAOYSA-N
XLogP3.99
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.37
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-Ethoxyethoxy)-2-prop-2-enylthiolane
CID 57193693
2-(2-Ethoxyethyl)-2,3-dihydrothiophene
CID 67866147
2-(2-Propoxyethyl)-2,3-dihydrothiophene
CID 70647710
2-(2,3-Dihydrothiophen-2-yl)-3,3-dimethyloxetane
CID 89347759
2-(Cyclohexyloxymethyl)-2,3-dihydrothiophene
CID 91249774
2-(Cyclopentyloxymethyl)-2,3-dihydrothiophene
CID 91295387
2-(Heptoxymethyl)-2,3-dihydrothiophene
CID 91304634
2-(Hexoxymethyl)-2,3-dihydrothiophene
CID 91432347
2-(Pentoxymethyl)-2,3-dihydrothiophene
CID 91517635
3-But-3-en-2-ylsulfanyl-2-methyloxolane
CID 130684420

Frequently Asked Questions

What is the IUPAC name of 2-ethyloxetane;2-propyl-2,3-dihydrothiophene?
The IUPAC name of 2-ethyloxetane;2-propyl-2,3-dihydrothiophene (CID 142087295) is 2-ethyloxetane;2-propyl-2,3-dihydrothiophene.
What is the SMILES notation for 2-ethyloxetane;2-propyl-2,3-dihydrothiophene?
The canonical SMILES for 2-ethyloxetane;2-propyl-2,3-dihydrothiophene is CCC1CCO1.CCCC1CC=CS1.
What is the InChIKey of 2-ethyloxetane;2-propyl-2,3-dihydrothiophene?
The InChIKey is SNWPHUBSYQKWMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12S.C5H10O/c1-2-4-7-5-3-6-8-7;1-2-5-3-4-6-5/h3,6-7H,2,4-5H2,1H3;5H,2-4H2,1H3.
What are the key properties of 2-ethyloxetane;2-propyl-2,3-dihydrothiophene?
2-ethyloxetane;2-propyl-2,3-dihydrothiophene has a molecular weight of 214.37 g/mol, XLogP of 3.99, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyloxetane;2-propyl-2,3-dihydrothiophene is sourced from PubChem (CID 142087295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).