2-(2,3-dihydrothiophen-2-yl)-3,3-dimethyloxetane

C9H14OS — CID 89347759

IUPAC2-(2,3-dihydrothiophen-2-yl)-3,3-dimethyloxetane
SMILESCC1(C)COC1C1CC=CS1
InChIInChI=1S/C9H14OS/c1-9(2)6-10-8(9)7-4-3-5-11-7/h3,5,7-8H,4,6H2,1-2H3
InChIKeyYORATCDTQNRQGD-UHFFFAOYSA-N
MW170.28 g/mol
LogP2.43
Rot. Bonds1

About 2-(2,3-dihydrothiophen-2-yl)-3,3-dimethyloxetane

2-(2,3-dihydrothiophen-2-yl)-3,3-dimethyloxetane (PubChem CID 89347759) has the molecular formula C9H14OS and a molecular weight of 170.28 g/mol. Its IUPAC name is 2-(2,3-dihydrothiophen-2-yl)-3,3-dimethyloxetane.

Molecular Properties

Compound Name2-(2,3-dihydrothiophen-2-yl)-3,3-dimethyloxetane
PubChem CID89347759
Molecular FormulaC9H14OS
Molecular Weight170.28 g/mol
Exact Mass170.08
IUPAC Name2-(2,3-dihydrothiophen-2-yl)-3,3-dimethyloxetane
SMILESCC1(C)COC1C1CC=CS1
InChIInChI=1S/C9H14OS/c1-9(2)6-10-8(9)7-4-3-5-11-7/h3,5,7-8H,4,6H2,1-2H3
InChIKeyYORATCDTQNRQGD-UHFFFAOYSA-N
XLogP2.43
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.28
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydrothiophen-2-yl)-3,3-dimethyloxetane?
The IUPAC name of 2-(2,3-dihydrothiophen-2-yl)-3,3-dimethyloxetane (CID 89347759) is 2-(2,3-dihydrothiophen-2-yl)-3,3-dimethyloxetane.
What is the SMILES notation for 2-(2,3-dihydrothiophen-2-yl)-3,3-dimethyloxetane?
The canonical SMILES for 2-(2,3-dihydrothiophen-2-yl)-3,3-dimethyloxetane is CC1(C)COC1C1CC=CS1.
What is the InChIKey of 2-(2,3-dihydrothiophen-2-yl)-3,3-dimethyloxetane?
The InChIKey is YORATCDTQNRQGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14OS/c1-9(2)6-10-8(9)7-4-3-5-11-7/h3,5,7-8H,4,6H2,1-2H3.
What are the key properties of 2-(2,3-dihydrothiophen-2-yl)-3,3-dimethyloxetane?
2-(2,3-dihydrothiophen-2-yl)-3,3-dimethyloxetane has a molecular weight of 170.28 g/mol, XLogP of 2.43, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydrothiophen-2-yl)-3,3-dimethyloxetane is sourced from PubChem (CID 89347759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).