2-(3-propan-2-yloxythietan-3-yl)acetic acid

C8H14O3S — CID 115018286

IUPAC2-(3-propan-2-yloxythietan-3-yl)acetic acid
SMILESCC(C)OC1(CC(=O)O)CSC1
InChIInChI=1S/C8H14O3S/c1-6(2)11-8(3-7(9)10)4-12-5-8/h6H,3-5H2,1-2H3,(H,9,10)
InChIKeyVOFGOQXAWQXMCB-UHFFFAOYSA-N
MW190.26 g/mol
LogP1.37
Rot. Bonds4

About 2-(3-propan-2-yloxythietan-3-yl)acetic acid

2-(3-propan-2-yloxythietan-3-yl)acetic acid (PubChem CID 115018286) has the molecular formula C8H14O3S and a molecular weight of 190.26 g/mol. Its IUPAC name is 2-(3-propan-2-yloxythietan-3-yl)acetic acid.

Molecular Properties

Compound Name2-(3-propan-2-yloxythietan-3-yl)acetic acid
PubChem CID115018286
Molecular FormulaC8H14O3S
Molecular Weight190.26 g/mol
Exact Mass190.07
IUPAC Name2-(3-propan-2-yloxythietan-3-yl)acetic acid
SMILESCC(C)OC1(CC(=O)O)CSC1
InChIInChI=1S/C8H14O3S/c1-6(2)11-8(3-7(9)10)4-12-5-8/h6H,3-5H2,1-2H3,(H,9,10)
InChIKeyVOFGOQXAWQXMCB-UHFFFAOYSA-N
XLogP1.37
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.26
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-propan-2-yloxythietan-3-yl)acetic acid?
The IUPAC name of 2-(3-propan-2-yloxythietan-3-yl)acetic acid (CID 115018286) is 2-(3-propan-2-yloxythietan-3-yl)acetic acid.
What is the SMILES notation for 2-(3-propan-2-yloxythietan-3-yl)acetic acid?
The canonical SMILES for 2-(3-propan-2-yloxythietan-3-yl)acetic acid is CC(C)OC1(CC(=O)O)CSC1.
What is the InChIKey of 2-(3-propan-2-yloxythietan-3-yl)acetic acid?
The InChIKey is VOFGOQXAWQXMCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O3S/c1-6(2)11-8(3-7(9)10)4-12-5-8/h6H,3-5H2,1-2H3,(H,9,10).
What are the key properties of 2-(3-propan-2-yloxythietan-3-yl)acetic acid?
2-(3-propan-2-yloxythietan-3-yl)acetic acid has a molecular weight of 190.26 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-propan-2-yloxythietan-3-yl)acetic acid is sourced from PubChem (CID 115018286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).